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

C137H173N9O18S8 — CID 159089106

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-(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
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#N)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.C17H18N2O2S.C17H21NO3S.C17H21NO2S.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)13-7-8-16(15-6-4-3-5-14(13)15)22(20,21)19-17(11-18)9-10-17;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;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;3-8,12,19H,9-10H2,1-2H3;4-9,12,18H,10-11H2,1-3H3;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
InChIKeyKBVDKGPOHYNZPL-ACGXKZGHSA-N
MW2490.47 g/mol
LogP29.65
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-(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

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 (PubChem CID 159089106) has the molecular formula C137H173N9O18S8 and a molecular weight of 2490.47 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-(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.

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-(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
PubChem CID159089106
Molecular FormulaC137H173N9O18S8
Molecular Weight2490.47 g/mol
Exact Mass2488.07
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-(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
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#N)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.C17H18N2O2S.C17H21NO3S.C17H21NO2S.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)13-7-8-16(15-6-4-3-5-14(13)15)22(20,21)19-17(11-18)9-10-17;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;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;3-8,12,19H,9-10H2,1-2H3;4-9,12,18H,10-11H2,1-3H3;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
InChIKeyKBVDKGPOHYNZPL-ACGXKZGHSA-N
XLogP29.65
TPSA419.45 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds34
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002490.47
LogP ≤ 529.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

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-(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 with MolForge

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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-(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?
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-(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) 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-(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.
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-(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?
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-(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 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#N)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-(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?
The InChIKey is KBVDKGPOHYNZPL-ACGXKZGHSA-N. The full InChI is InChI=1S/C18H21NO3S.C18H25NO2S.C17H18N2O2S.C17H21NO3S.C17H21NO2S.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)13-7-8-16(15-6-4-3-5-14(13)15)22(20,21)19-17(11-18)9-10-17;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;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;3-8,12,19H,9-10H2,1-2H3;4-9,12,18H,10-11H2,1-3H3;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-(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?
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 has a molecular weight of 2490.47 g/mol, XLogP of 29.65, 34 rotatable bonds, 8 hydrogen bond donors, and 19 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-(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 is sourced from PubChem (CID 159089106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).