2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide

C20H26N2O3S — CID 133260941

IUPAC2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-8-16(2)21-20(23)15-17-11-13-18(14-12-17)22(3)26(24,25)19-9-6-5-7-10-19/h5-7,9-14,16H,4,8,15H2,1-3H3,(H,21,23)
InChIKeyIWCLWJXXHQQWLB-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.36
Rot. Bonds8

About 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide (PubChem CID 133260941) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide
PubChem CID133260941
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-8-16(2)21-20(23)15-17-11-13-18(14-12-17)22(3)26(24,25)19-9-6-5-7-10-19/h5-7,9-14,16H,4,8,15H2,1-3H3,(H,21,23)
InChIKeyIWCLWJXXHQQWLB-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 100787781
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-pentan-2-ylacetamide
CID 133178296
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 1296697
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
CID 100787598
3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide
CID 100787443
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577548
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide
CID 100787401
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2-fluorophenyl)acetamide
CID 100787608
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide (CID 133260941) is 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide?
The InChIKey is IWCLWJXXHQQWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-8-16(2)21-20(23)15-17-11-13-18(14-12-17)22(3)26(24,25)19-9-6-5-7-10-19/h5-7,9-14,16H,4,8,15H2,1-3H3,(H,21,23).
What are the key properties of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide?
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide has a molecular weight of 374.51 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 133260941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).