N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide

C17H20N2O3S — CID 71787874

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCCC(O)c1cccs1)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-12(13-6-3-2-4-7-13)19-17(22)16(21)18-10-9-14(20)15-8-5-11-23-15/h2-8,11-12,14,20H,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyHAKAMMIHGMWQMG-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.17
Rot. Bonds6

About N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide

N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide (PubChem CID 71787874) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide
PubChem CID71787874
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCCC(O)c1cccs1)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-12(13-6-3-2-4-7-13)19-17(22)16(21)18-10-9-14(20)15-8-5-11-23-15/h2-8,11-12,14,20H,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyHAKAMMIHGMWQMG-UHFFFAOYSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
6-(benzylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-4-ol
CID 155539094
N-benzyl-2-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl-methylamino]-4-hydroxypentanamide
CID 162673648
N'-(1-phenylethyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3792423
JUA-UNI-bc099708-1
CID 154706316
2-{[(3-Methyl-2-thienyl)methyl]amino}-1-phenylethanol
CID 4722461
N1-(4-fluorobenzyl)-N2-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)oxalamide
CID 56764063
N1-(3-fluoro-4-methylphenyl)-N2-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)oxalamide
CID 56764064
N1-(thiophen-2-ylmethyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764241
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 56792953
N-[2-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]propanamide
CID 56793655
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71971006

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide (CID 71787874) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)NCCC(O)c1cccs1)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide?
The InChIKey is HAKAMMIHGMWQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12(13-6-3-2-4-7-13)19-17(22)16(21)18-10-9-14(20)15-8-5-11-23-15/h2-8,11-12,14,20H,9-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide has a molecular weight of 332.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 71787874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).