2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide

C19H22Cl2N2O3S — CID 40976060

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H22Cl2N2O3S/c1-14(8-9-15-6-4-3-5-7-15)22-19(24)13-23(2)27(25,26)18-12-16(20)10-11-17(18)21/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyQIVDBTQDJPGEKO-CQSZACIVSA-N
MW429.37 g/mol
LogP3.75
Rot. Bonds8

About 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 40976060) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID40976060
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C19H22Cl2N2O3S/c1-14(8-9-15-6-4-3-5-7-15)22-19(24)13-23(2)27(25,26)18-12-16(20)10-11-17(18)21/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyQIVDBTQDJPGEKO-CQSZACIVSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695427
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 27209685
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861366
4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide
CID 6915635
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 9136479
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
CID 16583536
N-[(2S)-butan-2-yl]-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 92517954
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 45371966
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 126392917
2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 40976060) is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide is C[C@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is QIVDBTQDJPGEKO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-14(8-9-15-6-4-3-5-7-15)22-19(24)13-23(2)27(25,26)18-12-16(20)10-11-17(18)21/h3-7,10-12,14H,8-9,13H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 429.37 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 40976060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).