2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide

C21H26N2O4S — CID 2695427

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-16(9-10-18-7-5-4-6-8-18)22-21(25)15-23(3)28(26,27)20-13-11-19(12-14-20)17(2)24/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyOOSMJPHNBOIYLN-MRXNPFEDSA-N
MW402.52 g/mol
LogP2.65
Rot. Bonds9

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 2695427) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID2695427
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-16(9-10-18-7-5-4-6-8-18)22-21(25)15-23(3)28(26,27)20-13-11-19(12-14-20)17(2)24/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyOOSMJPHNBOIYLN-MRXNPFEDSA-N
XLogP2.65
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27209685
2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 43906894
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92517130
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40976060
2-phenylethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55539189
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 26034500
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 100787781
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-phenylprop-2-ynyl)acetamide
CID 55533400
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 24538311
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 41066343
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 27254891

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 2695427) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is OOSMJPHNBOIYLN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16(9-10-18-7-5-4-6-8-18)22-21(25)15-23(3)28(26,27)20-13-11-19(12-14-20)17(2)24/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,22,25)/t16-/m1/s1.
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 2695427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).