4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide

C18H20N2O2S — CID 2933190

IUPAC4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)C2CC2c2ccccc2)c1C(N)=O
InChIInChI=1S/C18H20N2O2S/c1-3-12-10(2)23-18(15(12)16(19)21)20-17(22)14-9-13(14)11-7-5-4-6-8-11/h4-8,13-14H,3,9H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyJMYYXVFHHZWQCG-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.46
Rot. Bonds5

About 4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide

4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide (PubChem CID 2933190) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide
PubChem CID2933190
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)C2CC2c2ccccc2)c1C(N)=O
InChIInChI=1S/C18H20N2O2S/c1-3-12-10(2)23-18(15(12)16(19)21)20-17(22)14-9-13(14)11-7-5-4-6-8-11/h4-8,13-14H,3,9H2,1-2H3,(H2,19,21)(H,20,22)
InChIKeyJMYYXVFHHZWQCG-UHFFFAOYSA-N
XLogP3.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide (CID 2933190) is 4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide is CCc1c(C)sc(NC(=O)C2CC2c2ccccc2)c1C(N)=O.
What is the InChIKey of 4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide?
The InChIKey is JMYYXVFHHZWQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-12-10(2)23-18(15(12)16(19)21)20-17(22)14-9-13(14)11-7-5-4-6-8-11/h4-8,13-14H,3,9H2,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide?
4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 2933190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).