N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide

C19H15FN2O2S — CID 1432986

IUPACN-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2S/c1-12-4-9-15(21-19(24)17-3-2-10-25-17)11-16(12)22-18(23)13-5-7-14(20)8-6-13/h2-11H,1H3,(H,21,24)(H,22,23)
InChIKeyJDFJCYYFHSPETA-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.70
Rot. Bonds4

About N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide

N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide (PubChem CID 1432986) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide
PubChem CID1432986
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC NameN-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2S/c1-12-4-9-15(21-19(24)17-3-2-10-25-17)11-16(12)22-18(23)13-5-7-14(20)8-6-13/h2-11H,1H3,(H,21,24)(H,22,23)
InChIKeyJDFJCYYFHSPETA-UHFFFAOYSA-N
XLogP4.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide (CID 1432986) is N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide?
The InChIKey is JDFJCYYFHSPETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c1-12-4-9-15(21-19(24)17-3-2-10-25-17)11-16(12)22-18(23)13-5-7-14(20)8-6-13/h2-11H,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide?
N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1432986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).