2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide

C25H28N2O4S — CID 28631808

IUPAC2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-31-23-16-12-21(13-17-23)20(3)26-25(28)18-27(22-14-10-19(2)11-15-22)32(29,30)24-8-6-5-7-9-24/h5-17,20H,4,18H2,1-3H3,(H,26,28)/t20-/m1/s1
InChIKeyKTLPWLAVFJODPG-HXUWFJFHSA-N
MW452.58 g/mol
LogP4.47
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide (PubChem CID 28631808) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
PubChem CID28631808
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-31-23-16-12-21(13-17-23)20(3)26-25(28)18-27(22-14-10-19(2)11-15-22)32(29,30)24-8-6-5-7-9-24/h5-17,20H,4,18H2,1-3H3,(H,26,28)/t20-/m1/s1
InChIKeyKTLPWLAVFJODPG-HXUWFJFHSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43875282
N-[1-(4-ethoxyphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 43902340
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43902042
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 30304216
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 94019420
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902412
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304440
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902515
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30303633
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92683234
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43875390
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 30377521

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide (CID 28631808) is 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide is CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide?
The InChIKey is KTLPWLAVFJODPG-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-31-23-16-12-21(13-17-23)20(3)26-25(28)18-27(22-14-10-19(2)11-15-22)32(29,30)24-8-6-5-7-9-24/h5-17,20H,4,18H2,1-3H3,(H,26,28)/t20-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28631808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).