N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide

C24H26N2O4S — CID 132671548

IUPACN-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(N(C(C)C(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H26N2O4S/c1-18(26(31(3,28)29)21-15-10-16-22(17-21)30-2)24(27)25-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-18,23H,1-3H3,(H,25,27)
InChIKeySSFZDAPBIBEMKA-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.76
Rot. Bonds8

About N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide

N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 132671548) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID132671548
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(N(C(C)C(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C24H26N2O4S/c1-18(26(31(3,28)29)21-15-10-16-22(17-21)30-2)24(27)25-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-18,23H,1-3H3,(H,25,27)
InChIKeySSFZDAPBIBEMKA-UHFFFAOYSA-N
XLogP3.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 92682168
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125044125
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125083726
(2R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125059418
2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670775
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 42563634
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125044091
2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide
CID 132670001
2-(3-methoxy-N-methylsulfonylanilino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133224766
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 133185268
(2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide
CID 93160173
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide (CID 132671548) is N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide is COc1cccc(N(C(C)C(=O)NC(c2ccccc2)c2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is SSFZDAPBIBEMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18(26(31(3,28)29)21-15-10-16-22(17-21)30-2)24(27)25-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-18,23H,1-3H3,(H,25,27).
What are the key properties of N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide?
N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 438.55 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-2-(3-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132671548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).