N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide

C13H14N2O3S — CID 7520892

IUPACN-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccco2)sc(C)c1C
InChIInChI=1S/C13H14N2O3S/c1-7-8(2)19-13(10(7)12(17)14-3)15-11(16)9-5-4-6-18-9/h4-6H,1-3H3,(H,14,17)(H,15,16)
InChIKeyBLGGUNJHHTYXHR-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.57
Rot. Bonds3

About N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide

N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide (PubChem CID 7520892) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
PubChem CID7520892
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccco2)sc(C)c1C
InChIInChI=1S/C13H14N2O3S/c1-7-8(2)19-13(10(7)12(17)14-3)15-11(16)9-5-4-6-18-9/h4-6H,1-3H3,(H,14,17)(H,15,16)
InChIKeyBLGGUNJHHTYXHR-UHFFFAOYSA-N
XLogP2.57
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 1206485
N-[4,5-dimethyl-3-(piperazine-1-carbonyl)thiophen-2-yl]furan-2-carboxamide
CID 39161723
dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
CID 843075
methyl 2-[(furan-2-carbonylamino)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
CID 5158593
N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide
CID 7520924
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814051
[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] furan-2-carboxylate
CID 2680648
N-[4,5-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]furan-2-carboxamide
CID 46299802
ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
CID 1221585
methyl 2-(furan-2-carbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 1130436
N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
CID 7520874
N,4,5-trimethyl-2-[(2-phenoxybenzoyl)amino]thiophene-3-carboxamide
CID 7287219

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide (CID 7520892) is N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide is CNC(=O)c1c(NC(=O)c2ccco2)sc(C)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The InChIKey is BLGGUNJHHTYXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7-8(2)19-13(10(7)12(17)14-3)15-11(16)9-5-4-6-18-9/h4-6H,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7520892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).