N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide

C12H14N2O2S — CID 71781568

IUPACN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide
SMILESCn1cccc1C(O)CNC(=O)c1ccsc1
InChIInChI=1S/C12H14N2O2S/c1-14-5-2-3-10(14)11(15)7-13-12(16)9-4-6-17-8-9/h2-6,8,11,15H,7H2,1H3,(H,13,16)
InChIKeyFMWOREINFWETMD-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.55
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide (PubChem CID 71781568) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide
PubChem CID71781568
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide
SMILESCn1cccc1C(O)CNC(=O)c1ccsc1
InChIInChI=1S/C12H14N2O2S/c1-14-5-2-3-10(14)11(15)7-13-12(16)9-4-6-17-8-9/h2-6,8,11,15H,7H2,1H3,(H,13,16)
InChIKeyFMWOREINFWETMD-UHFFFAOYSA-N
XLogP1.55
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide (CID 71781568) is N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide is Cn1cccc1C(O)CNC(=O)c1ccsc1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is FMWOREINFWETMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-14-5-2-3-10(14)11(15)7-13-12(16)9-4-6-17-8-9/h2-6,8,11,15H,7H2,1H3,(H,13,16).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide?
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 71781568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).