N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide

C137H176N8O18S8 — CID 157430849

IUPACN-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide
SMILESCC(=O)C1(NS(=O)(=O)c2ccc(C(C)C)c3ccccc23)CC1.CC(C)NS(=O)(=O)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12.CC(C)c1ccc(S(=O)(=O)NC2(C)CC2)c2ccccc12.CC(C)c1ccc(S(=O)(=O)NC2(C)CC2)c2ccccc12.CC(C)c1ccc(S(=O)(=O)NC2(C)COC2)c2ccccc12.CCC(C)(C)NS(=O)(=O)c1ccc(C(C)C)c2ccccc12.CC[C@@H](C)NS(=O)(=O)c1ccc(C(C)C)c2ccccc12
InChIInChI=1S/C18H21NO3S.C18H25NO2S.C17H21NO3S.2C17H21NO2S.2C17H23NO2S.C16H21NO2S/c1-12(2)14-8-9-17(16-7-5-4-6-15(14)16)23(21,22)19-18(10-11-18)13(3)20;1-6-18(4,5)19-22(20,21)17-12-11-14(13(2)3)15-9-7-8-10-16(15)17;1-12(2)13-8-9-16(15-7-5-4-6-14(13)15)22(19,20)18-17(3)10-21-11-17;2*1-12(2)13-8-9-16(15-7-5-4-6-14(13)15)21(19,20)18-17(3)10-11-17;1-12(2)13-10-11-16(15-9-7-6-8-14(13)15)21(19,20)18-17(3,4)5;1-5-13(4)18-21(19,20)17-11-10-14(12(2)3)15-8-6-7-9-16(15)17;1-11(2)13-9-10-16(20(18,19)17-12(3)4)15-8-6-5-7-14(13)15/h4-9,12,19H,10-11H2,1-3H3;7-13,19H,6H2,1-5H3;4-9,12,18H,10-11H2,1-3H3;2*4-9,12,18H,10-11H2,1-3H3;6-12,18H,1-5H3;6-13,18H,5H2,1-4H3;5-12,17H,1-4H3/t;;;;;;13-;/m......1./s1
InChIKeyBQMZREWPPAKESW-ACGXKZGHSA-N
MW2479.49 g/mol
LogP30.14
Rot. Bonds34

About N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide

N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide (PubChem CID 157430849) has the molecular formula C137H176N8O18S8 and a molecular weight of 2479.49 g/mol. Its IUPAC name is N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide
PubChem CID157430849
Molecular FormulaC137H176N8O18S8
Molecular Weight2479.49 g/mol
Exact Mass2477.09
IUPAC NameN-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide
SMILESCC(=O)C1(NS(=O)(=O)c2ccc(C(C)C)c3ccccc23)CC1.CC(C)NS(=O)(=O)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12.CC(C)c1ccc(S(=O)(=O)NC2(C)CC2)c2ccccc12.CC(C)c1ccc(S(=O)(=O)NC2(C)CC2)c2ccccc12.CC(C)c1ccc(S(=O)(=O)NC2(C)COC2)c2ccccc12.CCC(C)(C)NS(=O)(=O)c1ccc(C(C)C)c2ccccc12.CC[C@@H](C)NS(=O)(=O)c1ccc(C(C)C)c2ccccc12
InChIInChI=1S/C18H21NO3S.C18H25NO2S.C17H21NO3S.2C17H21NO2S.2C17H23NO2S.C16H21NO2S/c1-12(2)14-8-9-17(16-7-5-4-6-15(14)16)23(21,22)19-18(10-11-18)13(3)20;1-6-18(4,5)19-22(20,21)17-12-11-14(13(2)3)15-9-7-8-10-16(15)17;1-12(2)13-8-9-16(15-7-5-4-6-14(13)15)22(19,20)18-17(3)10-21-11-17;2*1-12(2)13-8-9-16(15-7-5-4-6-14(13)15)21(19,20)18-17(3)10-11-17;1-12(2)13-10-11-16(15-9-7-6-8-14(13)15)21(19,20)18-17(3,4)5;1-5-13(4)18-21(19,20)17-11-10-14(12(2)3)15-8-6-7-9-16(15)17;1-11(2)13-9-10-16(20(18,19)17-12(3)4)15-8-6-5-7-14(13)15/h4-9,12,19H,10-11H2,1-3H3;7-13,19H,6H2,1-5H3;4-9,12,18H,10-11H2,1-3H3;2*4-9,12,18H,10-11H2,1-3H3;6-12,18H,1-5H3;6-13,18H,5H2,1-4H3;5-12,17H,1-4H3/t;;;;;;13-;/m......1./s1
InChIKeyBQMZREWPPAKESW-ACGXKZGHSA-N
XLogP30.14
TPSA395.66 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds34
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002479.49
LogP ≤ 530.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Analyze N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N-(1-cyanocyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide
CID 159089106
4-methyl-N-(2-methylbutan-2-yl)naphthalene-1-sulfonamide
CID 118188377
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
ethyl 4-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656535
3-[(4-methylnaphthalen-1-yl)sulfonylamino]oxane-3-carboxylic acid
CID 166289254
3-[[(2R)-butan-2-yl]sulfamoyl]-4-[[(1S)-1-phenylethyl]amino]benzoic acid
CID 99977870
3-[[(2S)-butan-2-yl]sulfamoyl]-4-[[(1R)-1-phenylethyl]amino]benzoic acid
CID 99977879
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-[[(2R)-butan-2-yl]sulfamoyl]benzoate
CID 8568379
1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 142344597
4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485862
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide
CID 167339772

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide?
The IUPAC name of N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide (CID 157430849) is N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide is CC(=O)C1(NS(=O)(=O)c2ccc(C(C)C)c3ccccc23)CC1.CC(C)NS(=O)(=O)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12.CC(C)c1ccc(S(=O)(=O)NC2(C)CC2)c2ccccc12.CC(C)c1ccc(S(=O)(=O)NC2(C)CC2)c2ccccc12.CC(C)c1ccc(S(=O)(=O)NC2(C)COC2)c2ccccc12.CCC(C)(C)NS(=O)(=O)c1ccc(C(C)C)c2ccccc12.CC[C@@H](C)NS(=O)(=O)c1ccc(C(C)C)c2ccccc12.
What is the InChIKey of N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide?
The InChIKey is BQMZREWPPAKESW-ACGXKZGHSA-N. The full InChI is InChI=1S/C18H21NO3S.C18H25NO2S.C17H21NO3S.2C17H21NO2S.2C17H23NO2S.C16H21NO2S/c1-12(2)14-8-9-17(16-7-5-4-6-15(14)16)23(21,22)19-18(10-11-18)13(3)20;1-6-18(4,5)19-22(20,21)17-12-11-14(13(2)3)15-9-7-8-10-16(15)17;1-12(2)13-8-9-16(15-7-5-4-6-14(13)15)22(19,20)18-17(3)10-21-11-17;2*1-12(2)13-8-9-16(15-7-5-4-6-14(13)15)21(19,20)18-17(3)10-11-17;1-12(2)13-10-11-16(15-9-7-6-8-14(13)15)21(19,20)18-17(3,4)5;1-5-13(4)18-21(19,20)17-11-10-14(12(2)3)15-8-6-7-9-16(15)17;1-11(2)13-9-10-16(20(18,19)17-12(3)4)15-8-6-5-7-14(13)15/h4-9,12,19H,10-11H2,1-3H3;7-13,19H,6H2,1-5H3;4-9,12,18H,10-11H2,1-3H3;2*4-9,12,18H,10-11H2,1-3H3;6-12,18H,1-5H3;6-13,18H,5H2,1-4H3;5-12,17H,1-4H3/t;;;;;;13-;/m......1./s1.
What are the key properties of N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide?
N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide has a molecular weight of 2479.49 g/mol, XLogP of 30.14, 34 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide;N-[(2R)-butan-2-yl]-4-propan-2-ylnaphthalene-1-sulfonamide;N-tert-butyl-4-propan-2-ylnaphthalene-1-sulfonamide;N,4-di(propan-2-yl)naphthalene-1-sulfonamide;N-(2-methylbutan-2-yl)-4-propan-2-ylnaphthalene-1-sulfonamide;bis(N-(1-methylcyclopropyl)-4-propan-2-ylnaphthalene-1-sulfonamide);N-(3-methyloxetan-3-yl)-4-propan-2-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 157430849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).