3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide

C24H25FN2O4S — CID 133230904

IUPAC3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccccc2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C24H25FN2O4S/c1-17(18-7-5-4-6-8-18)26-24(28)19-9-14-23(31-2)20(15-19)16-27(32(3,29)30)22-12-10-21(25)11-13-22/h4-15,17H,16H2,1-3H3,(H,26,28)
InChIKeyKHRLZADSNPWKMY-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.29
Rot. Bonds8

About 3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide

3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide (PubChem CID 133230904) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is 3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide
PubChem CID133230904
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC Name3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccccc2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C24H25FN2O4S/c1-17(18-7-5-4-6-8-18)26-24(28)19-9-14-23(31-2)20(15-19)16-27(32(3,29)30)22-12-10-21(25)11-13-22/h4-15,17H,16H2,1-3H3,(H,26,28)
InChIKeyKHRLZADSNPWKMY-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 28577730
4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 133161124
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92672055
4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 69492654
N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133261991
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-phenylethyl)benzamide
CID 2884769
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 133235557
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 93487781
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 30398853
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217975

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide (CID 133230904) is 3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide is COc1ccc(C(=O)NC(C)c2ccccc2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide?
The InChIKey is KHRLZADSNPWKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-17(18-7-5-4-6-8-18)26-24(28)19-9-14-23(31-2)20(15-19)16-27(32(3,29)30)22-12-10-21(25)11-13-22/h4-15,17H,16H2,1-3H3,(H,26,28).
What are the key properties of 3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide?
3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide has a molecular weight of 456.54 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-N-methylsulfonylanilino)methyl]-4-methoxy-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 133230904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).