N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide

C14H14N2O2S — CID 47114852

IUPACN-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cccc(C(N)=O)c2)s1
InChIInChI=1S/C14H14N2O2S/c1-2-11-6-7-12(19-11)14(18)16-10-5-3-4-9(8-10)13(15)17/h3-8H,2H2,1H3,(H2,15,17)(H,16,18)
InChIKeyFDAWGDIYYMNFCK-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.66
Rot. Bonds4

About N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide

N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide (PubChem CID 47114852) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide
PubChem CID47114852
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cccc(C(N)=O)c2)s1
InChIInChI=1S/C14H14N2O2S/c1-2-11-6-7-12(19-11)14(18)16-10-5-3-4-9(8-10)13(15)17/h3-8H,2H2,1H3,(H2,15,17)(H,16,18)
InChIKeyFDAWGDIYYMNFCK-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide
CID 61118215
N-(3-carbamothioyl-4-fluorophenyl)-5-ethylthiophene-2-carboxamide
CID 62317186
N-(1,3-benzodioxol-5-yl)-5-ethylthiophene-2-carboxamide
CID 47114542
N-(4-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 36676613
5-ethyl-N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64793569
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 4219949
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-5-ethylthiophene-2-carboxamide
CID 104780839
2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
CID 23881595
N-(2-bromo-4-carbamothioylphenyl)-5-ethylthiophene-2-carboxamide
CID 107789968
N-(3-acetylphenyl)-2-ethyl-1,3-thiazole-5-carboxamide
CID 47425777
5-ethyl-N-(1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 17217746

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide (CID 47114852) is N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)Nc2cccc(C(N)=O)c2)s1.
What is the InChIKey of N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is FDAWGDIYYMNFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-11-6-7-12(19-11)14(18)16-10-5-3-4-9(8-10)13(15)17/h3-8H,2H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide?
N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 47114852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).