4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide

C16H17N3OS2 — CID 71797183

IUPAC4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCc2nc(-c3cccs3)cn2C)c1
InChIInChI=1S/C16H17N3OS2/c1-11-8-14(22-10-11)16(20)17-6-5-15-18-12(9-19(15)2)13-4-3-7-21-13/h3-4,7-10H,5-6H2,1-2H3,(H,17,20)
InChIKeyIKFWXCPQQCSEQX-UHFFFAOYSA-N
MW331.47 g/mol
LogP3.49
Rot. Bonds5

About 4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide

4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 71797183) has the molecular formula C16H17N3OS2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID71797183
Molecular FormulaC16H17N3OS2
Molecular Weight331.47 g/mol
Exact Mass331.08
IUPAC Name4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCc2nc(-c3cccs3)cn2C)c1
InChIInChI=1S/C16H17N3OS2/c1-11-8-14(22-10-11)16(20)17-6-5-15-18-12(9-19(15)2)13-4-3-7-21-13/h3-4,7-10H,5-6H2,1-2H3,(H,17,20)
InChIKeyIKFWXCPQQCSEQX-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide (CID 71797183) is 4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCCc2nc(-c3cccs3)cn2C)c1.
What is the InChIKey of 4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is IKFWXCPQQCSEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS2/c1-11-8-14(22-10-11)16(20)17-6-5-15-18-12(9-19(15)2)13-4-3-7-21-13/h3-4,7-10H,5-6H2,1-2H3,(H,17,20).
What are the key properties of 4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide?
4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 331.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71797183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).