2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide

C25H27ClN2O5S — CID 92676327

IUPAC2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C25H27ClN2O5S/c1-4-22(18-10-13-20(32-2)14-11-18)27-25(29)17-28(23-16-19(26)12-15-24(23)33-3)34(30,31)21-8-6-5-7-9-21/h5-16,22H,4,17H2,1-3H3,(H,27,29)/t22-/m1/s1
InChIKeyOFSFFCQHADAPAZ-JOCHJYFZSA-N
MW503.02 g/mol
LogP4.82
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 92676327) has the molecular formula C25H27ClN2O5S and a molecular weight of 503.02 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
PubChem CID92676327
Molecular FormulaC25H27ClN2O5S
Molecular Weight503.02 g/mol
Exact Mass502.13
IUPAC Name2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C25H27ClN2O5S/c1-4-22(18-10-13-20(32-2)14-11-18)27-25(29)17-28(23-16-19(26)12-15-24(23)33-3)34(30,31)21-8-6-5-7-9-21/h5-16,22H,4,17H2,1-3H3,(H,27,29)/t22-/m1/s1
InChIKeyOFSFFCQHADAPAZ-JOCHJYFZSA-N
XLogP4.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.02
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304509
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(1-phenylpropyl)acetamide
CID 43885299
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 43902050
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 28635265
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 99130643
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 92671566
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 99130704
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(2S)-pentan-2-yl]acetamide
CID 126269673
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30199967
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30207829
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902052
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 132633927

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide (CID 92676327) is 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide is CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is OFSFFCQHADAPAZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27ClN2O5S/c1-4-22(18-10-13-20(32-2)14-11-18)27-25(29)17-28(23-16-19(26)12-15-24(23)33-3)34(30,31)21-8-6-5-7-9-21/h5-16,22H,4,17H2,1-3H3,(H,27,29)/t22-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 503.02 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 92676327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).