4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

C13H14N2O2S2 — CID 725819

IUPAC4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cccs2)c1C(N)=O
InChIInChI=1S/C13H14N2O2S2/c1-3-8-7(2)19-13(10(8)11(14)16)15-12(17)9-5-4-6-18-9/h4-6H,3H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyDCXJOKQPDHTDON-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.03
Rot. Bonds4

About 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide

4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (PubChem CID 725819) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
PubChem CID725819
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cccs2)c1C(N)=O
InChIInChI=1S/C13H14N2O2S2/c1-3-8-7(2)19-13(10(8)11(14)16)15-12(17)9-5-4-6-18-9/h4-6H,3H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyDCXJOKQPDHTDON-UHFFFAOYSA-N
XLogP3.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 2930937
4,5-dimethyl-2-(thiophene-2-carbonylcarbamothioylamino)thiophene-3-carboxamide
CID 4311136
methyl 3-[(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 28638080
5-bromo-N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 1222183
2-[(2,5-difluorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 4766562
ethyl 5-bromo-4-(2-methylpropyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 23996164
4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
CID 868760
4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168908
4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide
CID 17168903
4-ethyl-2-[[4-(2-methoxyethoxy)benzoyl]amino]-5-methylthiophene-3-carboxamide
CID 17168933

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide (CID 725819) is 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is CCc1c(C)sc(NC(=O)c2cccs2)c1C(N)=O.
What is the InChIKey of 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
The InChIKey is DCXJOKQPDHTDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-3-8-7(2)19-13(10(8)11(14)16)15-12(17)9-5-4-6-18-9/h4-6H,3H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide?
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide is sourced from PubChem (CID 725819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).