N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide

C14H17N3O3S — CID 71781634

IUPACN'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCn1cccc1C(O)CNC(=O)C(=O)NCc1cccs1
InChIInChI=1S/C14H17N3O3S/c1-17-6-2-5-11(17)12(18)9-16-14(20)13(19)15-8-10-4-3-7-21-10/h2-7,12,18H,8-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyKDWROBKNLYGTHS-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.55
Rot. Bonds5

About N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 71781634) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID71781634
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCn1cccc1C(O)CNC(=O)C(=O)NCc1cccs1
InChIInChI=1S/C14H17N3O3S/c1-17-6-2-5-11(17)12(18)9-16-14(20)13(19)15-8-10-4-3-7-21-10/h2-7,12,18H,8-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyKDWROBKNLYGTHS-UHFFFAOYSA-N
XLogP0.55
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide 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]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide (CID 71781634) is N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide is Cn1cccc1C(O)CNC(=O)C(=O)NCc1cccs1.
What is the InChIKey of N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is KDWROBKNLYGTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-17-6-2-5-11(17)12(18)9-16-14(20)13(19)15-8-10-4-3-7-21-10/h2-7,12,18H,8-9H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 307.38 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 71781634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).