N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide

C15H13FN2O2S — CID 138997507

IUPACN-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2sccc2C2CC2)ccc1F
InChIInChI=1S/C15H13FN2O2S/c16-12-4-3-9(7-11(12)14(17)19)18-15(20)13-10(5-6-21-13)8-1-2-8/h3-8H,1-2H2,(H2,17,19)(H,18,20)
InChIKeyLIKUXBUHRDIOOU-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.12
Rot. Bonds4

About N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide

N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide (PubChem CID 138997507) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide
PubChem CID138997507
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)c2sccc2C2CC2)ccc1F
InChIInChI=1S/C15H13FN2O2S/c16-12-4-3-9(7-11(12)14(17)19)18-15(20)13-10(5-6-21-13)8-1-2-8/h3-8H,1-2H2,(H2,17,19)(H,18,20)
InChIKeyLIKUXBUHRDIOOU-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 51095402
3-ethyl-N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 79975885
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 61228423
5-[(2-aminocyclohexanecarbonyl)amino]-2-fluorobenzamide
CID 64824712
5-[(2-cyclopropylphenyl)methylamino]-2-fluorobenzamide
CID 79968726
3-cyclopropyl-N-methylthiophene-2-carboxamide
CID 130634247
3-cyclopropyl-N-(3-imidazol-1-ylphenyl)thiophene-2-carboxamide
CID 51095447
N-(2-aminoethyl)-3-cyclopropylthiophene-2-carboxamide;hydrochloride
CID 119383881
methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate
CID 51095429
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007085
(5-chloro-2-fluorophenyl)-[4-(3-cyclopropylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 71884163
N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55057585

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide (CID 138997507) is N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide is NC(=O)c1cc(NC(=O)c2sccc2C2CC2)ccc1F.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide?
The InChIKey is LIKUXBUHRDIOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c16-12-4-3-9(7-11(12)14(17)19)18-15(20)13-10(5-6-21-13)8-1-2-8/h3-8H,1-2H2,(H2,17,19)(H,18,20).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)-3-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 138997507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).