N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C17H13FN2O3S — CID 17491245

IUPACN-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3S/c1-10-9-14(20-16(21)13-3-2-8-23-13)24-15(10)17(22)19-12-6-4-11(18)5-7-12/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyOMDLBKFZPOIHGD-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.29
Rot. Bonds4

About N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 17491245) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID17491245
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC NameN-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3S/c1-10-9-14(20-16(21)13-3-2-8-23-13)24-15(10)17(22)19-12-6-4-11(18)5-7-12/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyOMDLBKFZPOIHGD-UHFFFAOYSA-N
XLogP4.29
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[4-(cyanomethyl)phenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 35708139
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[4-fluoro-2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]phenyl]pyridine-2-carboxamide
CID 60581190
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
N-[5-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 25443607
N-[5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 47739437
N-[5-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55786094
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55521763
N-[5-[(4-hydroxycyclohexyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 110882782
N-[5-[(1-amino-2-methylpropan-2-yl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 119522920
N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 51297207

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 17491245) is N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is OMDLBKFZPOIHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-10-9-14(20-16(21)13-3-2-8-23-13)24-15(10)17(22)19-12-6-4-11(18)5-7-12/h2-9H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 17491245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).