N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide

C12H12N2O3S — CID 673534

IUPACN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C
InChIInChI=1S/C12H12N2O3S/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyACRJYJHXXHYAJP-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.31
Rot. Bonds3

About N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide

N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide (PubChem CID 673534) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide
PubChem CID673534
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C
InChIInChI=1S/C12H12N2O3S/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16)
InChIKeyACRJYJHXXHYAJP-UHFFFAOYSA-N
XLogP2.31
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 902868
Ethyl 4-(aminocarbonyl)-3-methyl-5-[(2-methyl-3-furoyl)amino]thiophene-2-carboxylate
CID 903585
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-2-furamide
CID 793579
Cbr-5884
CID 4674993
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
CID 661197
N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide
CID 699928
N-(4-phenylthiophen-2-yl)furan-2-carboxamide
CID 699965
Methyl 2-(2-furylcarbonylamino)-5-methylthiophene-3-carboxylate
CID 1246438
N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]furan-2-carboxamide
CID 2235821
Methyl 4-cyano-5-(2-furoylamino)-3-methyl-2-thiophenecarboxylate
CID 3150558
2-(Furan-2-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 4346283
N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 7190235

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide (CID 673534) is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide is Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C.
What is the InChIKey of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide?
The InChIKey is ACRJYJHXXHYAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-6-7(2)18-12(9(6)10(13)15)14-11(16)8-4-3-5-17-8/h3-5H,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide?
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide is sourced from PubChem (CID 673534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).