(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide

C20H25ClN2O3S — CID 30403963

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C20H25ClN2O3S/c1-12-10-14(3)19(11-13(12)2)15(4)22-20(24)16(5)23-27(25,26)18-8-6-17(21)7-9-18/h6-11,15-16,23H,1-5H3,(H,22,24)/t15-,16+/m1/s1
InChIKeySMDRXEXEYKBPQO-CVEARBPZSA-N
MW408.95 g/mol
LogP3.81
Rot. Bonds6

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (PubChem CID 30403963) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
PubChem CID30403963
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C20H25ClN2O3S/c1-12-10-14(3)19(11-13(12)2)15(4)22-20(24)16(5)23-27(25,26)18-8-6-17(21)7-9-18/h6-11,15-16,23H,1-5H3,(H,22,24)/t15-,16+/m1/s1
InChIKeySMDRXEXEYKBPQO-CVEARBPZSA-N
XLogP3.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404005
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30403950
(2S)-N-(4-chloro-2-methylphenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 7318745
(2S)-2-(benzenesulfonamido)-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404196
2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 50740247
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416
2-[(4-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 50740249
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 94864304
N-[4-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 133217936
[(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid
CID 59898512
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide (CID 30403963) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is Cc1cc(C)c([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The InChIKey is SMDRXEXEYKBPQO-CVEARBPZSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-12-10-14(3)19(11-13(12)2)15(4)22-20(24)16(5)23-27(25,26)18-8-6-17(21)7-9-18/h6-11,15-16,23H,1-5H3,(H,22,24)/t15-,16+/m1/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide has a molecular weight of 408.95 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 30403963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).