2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide

C20H25ClN2O4S — CID 126269673

IUPAC2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25ClN2O4S/c1-4-8-15(2)22-20(24)14-23(18-13-16(21)11-12-19(18)27-3)28(25,26)17-9-6-5-7-10-17/h5-7,9-13,15H,4,8,14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyLJDSJDDZLXKBTF-HNNXBMFYSA-N
MW424.95 g/mol
LogP3.85
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide (PubChem CID 126269673) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide
PubChem CID126269673
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25ClN2O4S/c1-4-8-15(2)22-20(24)14-23(18-13-16(21)11-12-19(18)27-3)28(25,26)17-9-6-5-7-10-17/h5-7,9-13,15H,4,8,14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyLJDSJDDZLXKBTF-HNNXBMFYSA-N
XLogP3.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126342579
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 43902050
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 126275595
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902052
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 125078051
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[(2R)-pentan-2-yl]acetamide
CID 7318612
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 92681700
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92676327
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1308866
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1372126
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(1-phenylpropyl)acetamide
CID 43885299

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide (CID 126269673) is 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide is CCC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide?
The InChIKey is LJDSJDDZLXKBTF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-4-8-15(2)22-20(24)14-23(18-13-16(21)11-12-19(18)27-3)28(25,26)17-9-6-5-7-10-17/h5-7,9-13,15H,4,8,14H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide?
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide has a molecular weight of 424.95 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide is sourced from PubChem (CID 126269673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).