3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide

C20H22N2OS — CID 51120913

IUPAC3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESCc1ccc(C)n1-c1ccsc1C(=O)N(C)CCc1ccccc1
InChIInChI=1S/C20H22N2OS/c1-15-9-10-16(2)22(15)18-12-14-24-19(18)20(23)21(3)13-11-17-7-5-4-6-8-17/h4-10,12,14H,11,13H2,1-3H3
InChIKeyMBPWQCYSLKBBMD-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.47
Rot. Bonds5

About 3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide

3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide (PubChem CID 51120913) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
PubChem CID51120913
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESCc1ccc(C)n1-c1ccsc1C(=O)N(C)CCc1ccccc1
InChIInChI=1S/C20H22N2OS/c1-15-9-10-16(2)22(15)18-12-14-24-19(18)20(23)21(3)13-11-17-7-5-4-6-8-17/h4-10,12,14H,11,13H2,1-3H3
InChIKeyMBPWQCYSLKBBMD-UHFFFAOYSA-N
XLogP4.47
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_E(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide (CID 51120913) is 3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide is Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCc1ccccc1.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is MBPWQCYSLKBBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-15-9-10-16(2)22(15)18-12-14-24-19(18)20(23)21(3)13-11-17-7-5-4-6-8-17/h4-10,12,14H,11,13H2,1-3H3.
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide?
3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-N-methyl-N-(2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 51120913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).