4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride

C122H149ClN8O8S2-2 — CID 157424491

IUPAC4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride
SMILESC=[N-].CCC(C)c1ccc(Nc2ccc(C(c3ccc(C)cc3)c3ccc(N(CC)CC)cc3)c3ccccc23)cc1.CCC(C)c1ccc(S(=O)(=O)NS(C)(=O)=O)cc1.CCN(CC)c1ccc(C(c2ccc(C)cc2)c2ccc(NCCOC(=O)C(C)(C)CC)c3ccccc23)cc1.CCN(CC)c1ccc(C(c2ccc(C)cc2)c2ccc(NCCOC(=O)C(C)(C)CC)c3ccccc23)cc1.[Cl-]
InChIInChI=1S/C38H42N2.2C36H44N2O2.C11H17NO4S2.CH2N.ClH/c1-6-28(5)29-17-21-32(22-18-29)39-37-26-25-36(34-11-9-10-12-35(34)37)38(30-15-13-27(4)14-16-30)31-19-23-33(24-20-31)40(7-2)8-3;2*1-7-36(5,6)35(39)40-25-24-37-33-23-22-32(30-12-10-11-13-31(30)33)34(27-16-14-26(4)15-17-27)28-18-20-29(21-19-28)38(8-2)9-3;1-4-9(2)10-5-7-11(8-6-10)18(15,16)12-17(3,13)14;1-2;/h9-26,28,38-39H,6-8H2,1-5H3;2*10-23,34,37H,7-9,24-25H2,1-6H3;5-9,12H,4H2,1-3H3;1H2;1H/q;;;;-1;/p-1
InChIKeyBQKXRFUYDTZUHJ-UHFFFAOYSA-M
MW1955.17 g/mol
LogP26.26
Rot. Bonds39

About 4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride

4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride (PubChem CID 157424491) has the molecular formula C122H149ClN8O8S2-2 and a molecular weight of 1955.17 g/mol. Its IUPAC name is 4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride.

Molecular Properties

Compound Name4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride
PubChem CID157424491
Molecular FormulaC122H149ClN8O8S2-2
Molecular Weight1955.17 g/mol
Exact Mass1953.06
IUPAC Name4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride
SMILESC=[N-].CCC(C)c1ccc(Nc2ccc(C(c3ccc(C)cc3)c3ccc(N(CC)CC)cc3)c3ccccc23)cc1.CCC(C)c1ccc(S(=O)(=O)NS(C)(=O)=O)cc1.CCN(CC)c1ccc(C(c2ccc(C)cc2)c2ccc(NCCOC(=O)C(C)(C)CC)c3ccccc23)cc1.CCN(CC)c1ccc(C(c2ccc(C)cc2)c2ccc(NCCOC(=O)C(C)(C)CC)c3ccccc23)cc1.[Cl-]
InChIInChI=1S/C38H42N2.2C36H44N2O2.C11H17NO4S2.CH2N.ClH/c1-6-28(5)29-17-21-32(22-18-29)39-37-26-25-36(34-11-9-10-12-35(34)37)38(30-15-13-27(4)14-16-30)31-19-23-33(24-20-31)40(7-2)8-3;2*1-7-36(5,6)35(39)40-25-24-37-33-23-22-32(30-12-10-11-13-31(30)33)34(27-16-14-26(4)15-17-27)28-18-20-29(21-19-28)38(8-2)9-3;1-4-9(2)10-5-7-11(8-6-10)18(15,16)12-17(3,13)14;1-2;/h9-26,28,38-39H,6-8H2,1-5H3;2*10-23,34,37H,7-9,24-25H2,1-6H3;5-9,12H,4H2,1-3H3;1H2;1H/q;;;;-1;/p-1
InChIKeyBQKXRFUYDTZUHJ-UHFFFAOYSA-M
XLogP26.26
TPSA201.02 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds39
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001955.17
LogP ≤ 526.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride 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

5-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]pentyl 2,2-dimethylbutanoate
CID 122434063
4-[bis[4-(diethylamino)phenyl]methyl]-N-ethylnaphthalen-1-amine;hydrochloride
CID 70544608
4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]-N-ethyl-N-(1-propoxyethyl)naphthalen-1-amine
CID 122434120
4-[bis[4-(2,4,6-trimethyl-N-propylanilino)phenyl]methyl]-N-[(4-butan-2-ylphenyl)methyl]naphthalen-1-amine
CID 134597488
[2-[[4-[bis[4-(2,6-dimethylanilino)phenyl]methyl]-6-(methylsulfamoyl)naphthalen-1-yl]amino]cyclohexyl] 2,2-dimethylbutanoate
CID 122434108
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839568
[2-[[4-[bis[4-(diethylamino)phenyl]methyl]naphthalen-1-yl]amino]cyclohexyl] 2,4,4-trimethyl-2-propan-2-ylpentanoate;2,4,4-trimethyl-2-propan-2-ylpentanoic acid
CID 144815124
butan-2-ylphosphonic acid;2-(2,2-dimethylbutanoyloxy)ethyl-triethylphosphanium;4-methylbenzenesulfonate
CID 91001499
4-butan-2-ylphenol;(4-hydroxyphenyl) 2,2-dimethylbutanoate
CID 162034516
2-[4-[1-benzothiophen-3-yl-[4-[ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]phenyl]methyl]-N-ethylanilino]ethyl 2,2-dimethylpropanoate
CID 158718840
butan-2-ylbenzene;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;methane;methyl 2,2-dimethylbutanoate;methyl 2-methylbutanoate
CID 161204608
butan-2-ylbenzene;2-[2-(1,3-dioxoisoindol-2-yl)ethoxycarbonylamino]ethyl 2,2-dimethylbutanoate;10-ethylacridin-9-one
CID 158370966

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride?
The IUPAC name of 4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride (CID 157424491) is 4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride.
What is the SMILES notation for 4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride?
The canonical SMILES for 4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride is C=[N-].CCC(C)c1ccc(Nc2ccc(C(c3ccc(C)cc3)c3ccc(N(CC)CC)cc3)c3ccccc23)cc1.CCC(C)c1ccc(S(=O)(=O)NS(C)(=O)=O)cc1.CCN(CC)c1ccc(C(c2ccc(C)cc2)c2ccc(NCCOC(=O)C(C)(C)CC)c3ccccc23)cc1.CCN(CC)c1ccc(C(c2ccc(C)cc2)c2ccc(NCCOC(=O)C(C)(C)CC)c3ccccc23)cc1.[Cl-].
What is the InChIKey of 4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride?
The InChIKey is BQKXRFUYDTZUHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C38H42N2.2C36H44N2O2.C11H17NO4S2.CH2N.ClH/c1-6-28(5)29-17-21-32(22-18-29)39-37-26-25-36(34-11-9-10-12-35(34)37)38(30-15-13-27(4)14-16-30)31-19-23-33(24-20-31)40(7-2)8-3;2*1-7-36(5,6)35(39)40-25-24-37-33-23-22-32(30-12-10-11-13-31(30)33)34(27-16-14-26(4)15-17-27)28-18-20-29(21-19-28)38(8-2)9-3;1-4-9(2)10-5-7-11(8-6-10)18(15,16)12-17(3,13)14;1-2;/h9-26,28,38-39H,6-8H2,1-5H3;2*10-23,34,37H,7-9,24-25H2,1-6H3;5-9,12H,4H2,1-3H3;1H2;1H/q;;;;-1;/p-1.
What are the key properties of 4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride?
4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride has a molecular weight of 1955.17 g/mol, XLogP of 26.26, 39 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-methylsulfonylbenzenesulfonamide;N-(4-butan-2-ylphenyl)-4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-amine;bis(2-[[4-[[4-(diethylamino)phenyl]-(4-methylphenyl)methyl]naphthalen-1-yl]amino]ethyl 2,2-dimethylbutanoate);methylideneazanide;chloride is sourced from PubChem (CID 157424491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).