2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide

C24H25ClN2O4S — CID 92649203

IUPAC2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
SMILESCCN(c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25ClN2O4S/c1-3-27(32(29,30)23-7-5-4-6-8-23)21-13-15-22(16-14-21)31-17-24(28)26-18(2)19-9-11-20(25)12-10-19/h4-16,18H,3,17H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyBAMCINMURWDPJK-GOSISDBHSA-N
MW472.99 g/mol
LogP4.81
Rot. Bonds9

About 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide

2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 92649203) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
PubChem CID92649203
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
SMILESCCN(c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25ClN2O4S/c1-3-27(32(29,30)23-7-5-4-6-8-23)21-13-15-22(16-14-21)31-17-24(28)26-18(2)19-9-11-20(25)12-10-19/h4-16,18H,3,17H2,1-2H3,(H,26,28)/t18-/m1/s1
InChIKeyBAMCINMURWDPJK-GOSISDBHSA-N
XLogP4.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 17247121
2-[4-[ethyl(phenyl)sulfamoyl]phenoxy]-N-pentan-3-ylacetamide
CID 7613163
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1294898
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30405340
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chlorophenyl)acetamide
CID 17247126
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142
2-(4-benzoylphenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7948812
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631808
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
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 92649314
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-(3-chloro-2-methylphenyl)acetamide
CID 17247131

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide (CID 92649203) is 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide is CCN(c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is BAMCINMURWDPJK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-3-27(32(29,30)23-7-5-4-6-8-23)21-13-15-22(16-14-21)31-17-24(28)26-18(2)19-9-11-20(25)12-10-19/h4-16,18H,3,17H2,1-2H3,(H,26,28)/t18-/m1/s1.
What are the key properties of 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide?
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 472.99 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 92649203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).