N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide

C23H23NO4S — CID 4117512

IUPACN-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO4S/c1-28-20-12-14-21(15-13-20)29(26,27)17-16-22(25)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3,(H,24,25)
InChIKeyLPVLTKZJMSNIRX-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.76
Rot. Bonds8

About N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide

N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 4117512) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID4117512
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC NameN-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO4S/c1-28-20-12-14-21(15-13-20)29(26,27)17-16-22(25)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3,(H,24,25)
InChIKeyLPVLTKZJMSNIRX-UHFFFAOYSA-N
XLogP3.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-benzhydrylpropanamide
CID 17310061
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
methyl 2-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60638125
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 78814090
N-[(S)-(2-methoxyphenyl)-phenylmethyl]-3-methylsulfonylpropanamide
CID 95616819
N-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 95091925
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324012
4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 30390615
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide (CID 4117512) is N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)CCC(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is LPVLTKZJMSNIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-28-20-12-14-21(15-13-20)29(26,27)17-16-22(25)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,23H,16-17H2,1H3,(H,24,25).
What are the key properties of N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide?
N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 409.51 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 4117512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).