N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide

C17H19N3O4S — CID 90499924

IUPACN'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(O)c2cccs2)cc1
InChIInChI=1S/C17H19N3O4S/c1-11(21)19-12-5-7-13(8-6-12)20-16(23)15(22)18-10-17(2,24)14-4-3-9-25-14/h3-9,24H,10H2,1-2H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyIBXZELIIOZKDRL-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.67
Rot. Bonds5

About N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide

N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide (PubChem CID 90499924) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
PubChem CID90499924
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(O)c2cccs2)cc1
InChIInChI=1S/C17H19N3O4S/c1-11(21)19-12-5-7-13(8-6-12)20-16(23)15(22)18-10-17(2,24)14-4-3-9-25-14/h3-9,24H,10H2,1-2H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyIBXZELIIOZKDRL-UHFFFAOYSA-N
XLogP1.67
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)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

N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499889
N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
CID 95983351
N'-(3-ethynylphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 111444414
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 71782404
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
CID 111442867
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 95983382
N'-(2-hydroxy-2-thiophen-2-ylpropyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 90499911
N-[3-[[[ethylamino-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 109420345

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide (CID 90499924) is N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide is CC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(O)c2cccs2)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide?
The InChIKey is IBXZELIIOZKDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11(21)19-12-5-7-13(8-6-12)20-16(23)15(22)18-10-17(2,24)14-4-3-9-25-14/h3-9,24H,10H2,1-2H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide?
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide has a molecular weight of 361.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide is sourced from PubChem (CID 90499924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).