2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide

C21H27N3O4S — CID 7718780

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H27N3O4S/c1-5-15(2)19-8-6-7-9-20(19)23-21(26)14-24(4)29(27,28)18-12-10-17(11-13-18)22-16(3)25/h6-13,15H,5,14H2,1-4H3,(H,22,25)(H,23,26)/t15-/m0/s1
InChIKeyLQJPHRRJEMADNG-HNNXBMFYSA-N
MW417.53 g/mol
LogP3.42
Rot. Bonds8

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide (PubChem CID 7718780) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
PubChem CID7718780
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H27N3O4S/c1-5-15(2)19-8-6-7-9-20(19)23-21(26)14-24(4)29(27,28)18-12-10-17(11-13-18)22-16(3)25/h6-13,15H,5,14H2,1-4H3,(H,22,25)(H,23,26)/t15-/m0/s1
InChIKeyLQJPHRRJEMADNG-HNNXBMFYSA-N
XLogP3.42
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 8008595
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 26102306
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2112970
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(2S)-1-aminopropan-2-yl]acetamide
CID 120505509
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 41154762
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 43022013
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120827176
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 9296718
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135679438
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide (CID 7718780) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide is CC[C@H](C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The InChIKey is LQJPHRRJEMADNG-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-5-15(2)19-8-6-7-9-20(19)23-21(26)14-24(4)29(27,28)18-12-10-17(11-13-18)22-16(3)25/h6-13,15H,5,14H2,1-4H3,(H,22,25)(H,23,26)/t15-/m0/s1.
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide has a molecular weight of 417.53 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 7718780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).