5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide

C24H32N2O3S — CID 43882561

IUPAC5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-19-12-15-22(30(28,29)26-16-8-3-4-9-17-26)18-23(19)24(27)25-20(2)13-14-21-10-6-5-7-11-21/h5-7,10-12,15,18,20H,3-4,8-9,13-14,16-17H2,1-2H3,(H,25,27)
InChIKeyYPBBECKQODBMQO-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.31
Rot. Bonds7

About 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide

5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 43882561) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide
PubChem CID43882561
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-19-12-15-22(30(28,29)26-16-8-3-4-9-17-26)18-23(19)24(27)25-20(2)13-14-21-10-6-5-7-11-21/h5-7,10-12,15,18,20H,3-4,8-9,13-14,16-17H2,1-2H3,(H,25,27)
InChIKeyYPBBECKQODBMQO-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 99968948
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 43882575
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 28590537
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 51904194
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
2-methyl-N-[1-(2-methylphenoxy)propan-2-yl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 132665015
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 99130880
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 24538338
5-(azepan-1-ylsulfonyl)-N-(2-benzylsulfanylethyl)-2-methylbenzamide
CID 28590329

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide (CID 43882561) is 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide is Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is YPBBECKQODBMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-19-12-15-22(30(28,29)26-16-8-3-4-9-17-26)18-23(19)24(27)25-20(2)13-14-21-10-6-5-7-11-21/h5-7,10-12,15,18,20H,3-4,8-9,13-14,16-17H2,1-2H3,(H,25,27).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide?
5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 428.60 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-methyl-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 43882561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).