2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C23H31N3O4S — CID 26102306

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C23H31N3O4S/c1-15(2)20-8-7-9-21(16(3)4)23(20)25-22(28)14-26(6)31(29,30)19-12-10-18(11-13-19)24-17(5)27/h7-13,15-16H,14H2,1-6H3,(H,24,27)(H,25,28)
InChIKeyIGKRYVCAIVPSIN-UHFFFAOYSA-N
MW445.59 g/mol
LogP4.15
Rot. Bonds8

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 26102306) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID26102306
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C23H31N3O4S/c1-15(2)20-8-7-9-21(16(3)4)23(20)25-22(28)14-26(6)31(29,30)19-12-10-18(11-13-19)24-17(5)27/h7-13,15-16H,14H2,1-6H3,(H,24,27)(H,25,28)
InChIKeyIGKRYVCAIVPSIN-UHFFFAOYSA-N
XLogP4.15
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3880241
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 7718780
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(2S)-1-aminopropan-2-yl]acetamide
CID 120505509
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120827176
2-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]amino]-N,N-dimethylacetamide
CID 55378326
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7959047
N-[4-[2-aminopropyl(methyl)sulfamoyl]phenyl]acetamide
CID 63766968
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 43022013

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 26102306) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is IGKRYVCAIVPSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-15(2)20-8-7-9-21(16(3)4)23(20)25-22(28)14-26(6)31(29,30)19-12-10-18(11-13-19)24-17(5)27/h7-13,15-16H,14H2,1-6H3,(H,24,27)(H,25,28).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 445.59 g/mol, XLogP of 4.15, 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-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 26102306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).