2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide

C20H26N2O4S — CID 27209685

IUPAC2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-16(9-10-17-7-5-4-6-8-17)21-20(23)15-22(2)27(24,25)19-13-11-18(26-3)12-14-19/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyDMGJCVWBMUAFPV-INIZCTEOSA-N
MW390.51 g/mol
LogP2.45
Rot. Bonds9

About 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 27209685) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID27209685
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-16(9-10-17-7-5-4-6-8-17)21-20(23)15-22(2)27(24,25)19-13-11-18(26-3)12-14-19/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyDMGJCVWBMUAFPV-INIZCTEOSA-N
XLogP2.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695427
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92517130
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133160447
2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 43906894
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 125059760
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165854
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 133187458
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-phenylbutan-2-yl)benzamide
CID 4132778
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40976060
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 92518774
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 100787781

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 27209685) is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)CCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is DMGJCVWBMUAFPV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-16(9-10-17-7-5-4-6-8-17)21-20(23)15-22(2)27(24,25)19-13-11-18(26-3)12-14-19/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 27209685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).