N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide

C20H25ClN2O3S — CID 2292687

IUPACN-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
SMILESCC[C@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-4-16(3)22-20(24)14-23(13-17-7-5-15(2)6-8-17)27(25,26)19-11-9-18(21)10-12-19/h5-12,16H,4,13-14H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyXUCVZCBINHQPIJ-INIZCTEOSA-N
MW408.95 g/mol
LogP3.75
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide

N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide (PubChem CID 2292687) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
PubChem CID2292687
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
SMILESCC[C@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-4-16(3)22-20(24)14-23(13-17-7-5-15(2)6-8-17)27(25,26)19-11-9-18(21)10-12-19/h5-12,16H,4,13-14H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyXUCVZCBINHQPIJ-INIZCTEOSA-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 ≤ 500408.95
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126393561
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetamide
CID 126012789
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126395375
N-butan-2-yl-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 4301159
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4694815
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 2918788
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(2S)-pentan-2-yl]acetamide
CID 126322107
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401156
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28544716
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871896
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 94861179
N-[1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 43871665

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide (CID 2292687) is N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide is CC[C@H](C)NC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide?
The InChIKey is XUCVZCBINHQPIJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-4-16(3)22-20(24)14-23(13-17-7-5-15(2)6-8-17)27(25,26)19-11-9-18(21)10-12-19/h5-12,16H,4,13-14H2,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide?
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide has a molecular weight of 408.95 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 N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 2292687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).