2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide

C26H30N2O4S — CID 30175779

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C26H30N2O4S/c1-5-24(21-12-14-22(32-4)15-13-21)27-26(29)18-28(25-16-11-19(2)17-20(25)3)33(30,31)23-9-7-6-8-10-23/h6-17,24H,5,18H2,1-4H3,(H,27,29)/t24-/m0/s1
InChIKeyKGOBGXCBGFABIH-DEOSSOPVSA-N
MW466.60 g/mol
LogP4.77
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide (PubChem CID 30175779) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
PubChem CID30175779
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C26H30N2O4S/c1-5-24(21-12-14-22(32-4)15-13-21)27-26(29)18-28(25-16-11-19(2)17-20(25)3)33(30,31)23-9-7-6-8-10-23/h6-17,24H,5,18H2,1-4H3,(H,27,29)/t24-/m0/s1
InChIKeyKGOBGXCBGFABIH-DEOSSOPVSA-N
XLogP4.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30212074
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885576
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304509
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30199967
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28576788
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 28635265
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191104
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 30207829
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 43892614
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30303724
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 92676327
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2271193

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide (CID 30175779) is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide is CC[C@H](NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
The InChIKey is KGOBGXCBGFABIH-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-5-24(21-12-14-22(32-4)15-13-21)27-26(29)18-28(25-16-11-19(2)17-20(25)3)33(30,31)23-9-7-6-8-10-23/h6-17,24H,5,18H2,1-4H3,(H,27,29)/t24-/m0/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide?
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30175779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).