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

C11H11NO2S — CID 699928

IUPACN-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C
InChIInChI=1S/C11H11NO2S/c1-7-6-10(15-8(7)2)12-11(13)9-4-3-5-14-9/h3-6H,1-2H3,(H,12,13)
InChIKeyJIWAQXSXXWIDMN-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.21
Rot. Bonds2

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

N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide (PubChem CID 699928) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide
PubChem CID699928
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC NameN-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C
InChIInChI=1S/C11H11NO2S/c1-7-6-10(15-8(7)2)12-11(13)9-4-3-5-14-9/h3-6H,1-2H3,(H,12,13)
InChIKeyJIWAQXSXXWIDMN-UHFFFAOYSA-N
XLogP3.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 902868
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide
CID 673534
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-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
N-[3-(methylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]furan-2-carboxamide
CID 7474993
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 7520892
Methyl 5-[(dimethylamino)carbonyl]-2-(2-furoylamino)-4-methyl-3-thiophenecarboxylate
CID 903699

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide?
The IUPAC name of N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide (CID 699928) is N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C.
What is the InChIKey of N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide?
The InChIKey is JIWAQXSXXWIDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-6-10(15-8(7)2)12-11(13)9-4-3-5-14-9/h3-6H,1-2H3,(H,12,13).
What are the key properties of N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide?
N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide is sourced from PubChem (CID 699928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).