4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide

C24H26N2O4S — CID 125043112

IUPAC4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
SMILESCCN(c1ccc(C(=O)N[C@H](C)COc2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-3-26(31(28,29)23-12-8-5-9-13-23)21-16-14-20(15-17-21)24(27)25-19(2)18-30-22-10-6-4-7-11-22/h4-17,19H,3,18H2,1-2H3,(H,25,27)/t19-/m1/s1
InChIKeyKJBRGWZKLVWKFL-LJQANCHMSA-N
MW438.55 g/mol
LogP4.10
Rot. Bonds9

About 4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide

4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide (PubChem CID 125043112) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
PubChem CID125043112
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
SMILESCCN(c1ccc(C(=O)N[C@H](C)COc2ccccc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-3-26(31(28,29)23-12-8-5-9-13-23)21-16-14-20(15-17-21)24(27)25-19(2)18-30-22-10-6-4-7-11-22/h4-17,19H,3,18H2,1-2H3,(H,25,27)/t19-/m1/s1
InChIKeyKJBRGWZKLVWKFL-LJQANCHMSA-N
XLogP4.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625046
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903412
4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 125042751
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892470
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 1296697
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide
CID 17140257
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 92649203
4-[(2,6-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 125058669
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897149

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide?
The IUPAC name of 4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide (CID 125043112) is 4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide is CCN(c1ccc(C(=O)N[C@H](C)COc2ccccc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide?
The InChIKey is KJBRGWZKLVWKFL-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-3-26(31(28,29)23-12-8-5-9-13-23)21-16-14-20(15-17-21)24(27)25-19(2)18-30-22-10-6-4-7-11-22/h4-17,19H,3,18H2,1-2H3,(H,25,27)/t19-/m1/s1.
What are the key properties of 4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide?
4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide is sourced from PubChem (CID 125043112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).