2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

C21H27N3O4S — CID 9296718

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H27N3O4S/c1-5-20(17-8-6-15(2)7-9-17)23-21(26)14-24(4)29(27,28)19-12-10-18(11-13-19)22-16(3)25/h6-13,20H,5,14H2,1-4H3,(H,22,25)(H,23,26)/t20-/m1/s1
InChIKeyIAHOLCXVBRUFST-HXUWFJFHSA-N
MW417.53 g/mol
LogP2.84
Rot. Bonds8

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (PubChem CID 9296718) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
PubChem CID9296718
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H27N3O4S/c1-5-20(17-8-6-15(2)7-9-17)23-21(26)14-24(4)29(27,28)19-12-10-18(11-13-19)22-16(3)25/h6-13,20H,5,14H2,1-4H3,(H,22,25)(H,23,26)/t20-/m1/s1
InChIKeyIAHOLCXVBRUFST-HXUWFJFHSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28955234
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]acetamide
CID 100526151
N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 132658877
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(2S)-1-aminopropan-2-yl]acetamide
CID 120505509
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 30306136
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28567843
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165585

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide (CID 9296718) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide is CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is IAHOLCXVBRUFST-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-5-20(17-8-6-15(2)7-9-17)23-21(26)14-24(4)29(27,28)19-12-10-18(11-13-19)22-16(3)25/h6-13,20H,5,14H2,1-4H3,(H,22,25)(H,23,26)/t20-/m1/s1.
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 417.53 g/mol, XLogP of 2.84, 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-[(1R)-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 9296718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).