N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide

C17H12FNO2S2 — CID 2809109

IUPACN-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide
SMILESCC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)c1cccs1
InChIInChI=1S/C17H12FNO2S2/c1-10(20)16-13(19-17(21)14-3-2-8-22-14)9-15(23-16)11-4-6-12(18)7-5-11/h2-9H,1H3,(H,19,21)
InChIKeyRESZKSBFMZSMKN-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.07
Rot. Bonds4

About N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide

N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide (PubChem CID 2809109) has the molecular formula C17H12FNO2S2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide
PubChem CID2809109
Molecular FormulaC17H12FNO2S2
Molecular Weight345.42 g/mol
Exact Mass345.03
IUPAC NameN-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide
SMILESCC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)c1cccs1
InChIInChI=1S/C17H12FNO2S2/c1-10(20)16-13(19-17(21)14-3-2-8-22-14)9-15(23-16)11-4-6-12(18)7-5-11/h2-9H,1H3,(H,19,21)
InChIKeyRESZKSBFMZSMKN-UHFFFAOYSA-N
XLogP5.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]thiophene-2-carboxamide
CID 35342222
N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938543
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]acetamide
CID 2809013
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-[3-[N-[(4-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4300167
3-[(2,6-difluorobenzoyl)amino]-5-(4-methylphenyl)thiophene-2-carboxylic acid
CID 53470422
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 31712486
N-[4-(furan-2-yl)-2-methylphenyl]thiophene-2-carboxamide
CID 168526286
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780

Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide (CID 2809109) is N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide is CC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide?
The InChIKey is RESZKSBFMZSMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2S2/c1-10(20)16-13(19-17(21)14-3-2-8-22-14)9-15(23-16)11-4-6-12(18)7-5-11/h2-9H,1H3,(H,19,21).
What are the key properties of N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide?
N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-5-(4-fluorophenyl)thiophen-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2809109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).