3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide

C14H18N2O2S — CID 110899826

IUPAC3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
SMILESCc1ccc(C)n1-c1ccsc1C(=O)N(C)CCO
InChIInChI=1S/C14H18N2O2S/c1-10-4-5-11(2)16(10)12-6-9-19-13(12)14(18)15(3)7-8-17/h4-6,9,17H,7-8H2,1-3H3
InChIKeyWCGUUYUETPTBPK-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.22
Rot. Bonds4

About 3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide

3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide (PubChem CID 110899826) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
PubChem CID110899826
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
SMILESCc1ccc(C)n1-c1ccsc1C(=O)N(C)CCO
InChIInChI=1S/C14H18N2O2S/c1-10-4-5-11(2)16(10)12-6-9-19-13(12)14(18)15(3)7-8-17/h4-6,9,17H,7-8H2,1-3H3
InChIKeyWCGUUYUETPTBPK-UHFFFAOYSA-N
XLogP2.22
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide (CID 110899826) is 3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide is Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CCO.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide?
The InChIKey is WCGUUYUETPTBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-4-5-11(2)16(10)12-6-9-19-13(12)14(18)15(3)7-8-17/h4-6,9,17H,7-8H2,1-3H3.
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide?
3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 110899826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).