4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide

C20H17FN2O2S — CID 170977170

IUPAC4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide
SMILESCOc1ccc(NSc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H17FN2O2S/c1-25-18-10-6-17(7-11-18)23-26-19-12-8-16(9-13-19)22-20(24)14-2-4-15(21)5-3-14/h2-13,23H,1H3,(H,22,24)
InChIKeyCUAWHCBAEJDTKW-UHFFFAOYSA-N
MW368.43 g/mol
LogP5.21
Rot. Bonds6

About 4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide

4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide (PubChem CID 170977170) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide
PubChem CID170977170
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide
SMILESCOc1ccc(NSc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H17FN2O2S/c1-25-18-10-6-17(7-11-18)23-26-19-12-8-16(9-13-19)22-20(24)14-2-4-15(21)5-3-14/h2-13,23H,1H3,(H,22,24)
InChIKeyCUAWHCBAEJDTKW-UHFFFAOYSA-N
XLogP5.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-4-propan-2-ylsulfanylbenzamide
CID 18587119
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
4-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 8884358
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
N-[4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 22781220
N-[3-cyano-4-(4-methoxyphenyl)sulfanylphenyl]-4-fluorobenzamide
CID 2769239
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(2,4-dimethylphenyl)-4-[(4-fluorophenyl)sulfanylamino]benzamide
CID 170976993
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide (CID 170977170) is 4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide is COc1ccc(NSc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide?
The InChIKey is CUAWHCBAEJDTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-25-18-10-6-17(7-11-18)23-26-19-12-8-16(9-13-19)22-20(24)14-2-4-15(21)5-3-14/h2-13,23H,1H3,(H,22,24).
What are the key properties of 4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide?
4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-methoxyanilino)sulfanylphenyl]benzamide is sourced from PubChem (CID 170977170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).