methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate

C15H16N2O5S — CID 903699

IUPACmethyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C15H16N2O5S/c1-8-10(15(20)21-4)13(23-11(8)14(19)17(2)3)16-12(18)9-6-5-7-22-9/h5-7H,1-4H3,(H,16,18)
InChIKeyCPLXMICQFVUQME-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.39
Rot. Bonds4

About methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate

methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate (PubChem CID 903699) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
PubChem CID903699
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Namemethyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C15H16N2O5S/c1-8-10(15(20)21-4)13(23-11(8)14(19)17(2)3)16-12(18)9-6-5-7-22-9/h5-7H,1-4H3,(H,16,18)
InChIKeyCPLXMICQFVUQME-UHFFFAOYSA-N
XLogP2.39
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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
6-t-Butyl-2-(furan-2-carboxamido)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylic acid
CID 2898877
N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide
CID 699928
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 methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate (CID 903699) is methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N(C)C)c1C.
What is the InChIKey of methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate?
The InChIKey is CPLXMICQFVUQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-8-10(15(20)21-4)13(23-11(8)14(19)17(2)3)16-12(18)9-6-5-7-22-9/h5-7H,1-4H3,(H,16,18).
What are the key properties of methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate?
methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate has a molecular weight of 336.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(dimethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 903699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).