N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide

C21H26N2O3S — CID 1291427

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-17-6-8-18(9-7-17)16-21(24)22-19-10-12-20(13-11-19)27(25,26)23-14-4-2-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)
InChIKeyPDZUGRMPPKTLBM-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.74
Rot. Bonds5

About N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide (PubChem CID 1291427) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
PubChem CID1291427
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-17-6-8-18(9-7-17)16-21(24)22-19-10-12-20(13-11-19)27(25,26)23-14-4-2-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24)
InChIKeyPDZUGRMPPKTLBM-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
2-(4-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17312033
2-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17309488
N-(4-cyclopentylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55610639
2-(3-methoxy-4-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 41484524
2-(3,4-dimethoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1306204
2-(3,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2425143
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-diethoxyphenyl)acetamide
CID 1013771
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 126190698
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide (CID 1291427) is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide?
The InChIKey is PDZUGRMPPKTLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-6-8-18(9-7-17)16-21(24)22-19-10-12-20(13-11-19)27(25,26)23-14-4-2-3-5-15-23/h6-13H,2-5,14-16H2,1H3,(H,22,24).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 1291427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).