N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide

C17H20N2O3S — CID 95983351

IUPACN'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NC[C@](C)(O)c2cccs2)cc1C
InChIInChI=1S/C17H20N2O3S/c1-11-6-7-13(9-12(11)2)19-16(21)15(20)18-10-17(3,22)14-5-4-8-23-14/h4-9,22H,10H2,1-3H3,(H,18,20)(H,19,21)/t17-/m0/s1
InChIKeyZLYPRLNWALCRBY-KRWDZBQOSA-N
MW332.43 g/mol
LogP2.33
Rot. Bonds4

About N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide

N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide (PubChem CID 95983351) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
PubChem CID95983351
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NC[C@](C)(O)c2cccs2)cc1C
InChIInChI=1S/C17H20N2O3S/c1-11-6-7-13(9-12(11)2)19-16(21)15(20)18-10-17(3,22)14-5-4-8-23-14/h4-9,22H,10H2,1-3H3,(H,18,20)(H,19,21)/t17-/m0/s1
InChIKeyZLYPRLNWALCRBY-KRWDZBQOSA-N
XLogP2.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3,4-dimethylphenyl)-N-[(2S)-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-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499924
N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499889
N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129416529
N'-(3-ethynylphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 111444414
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 71782404
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
CID 111442867
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methylthiophene-2-carboxamide
CID 95983247
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-N'-(3,4-dimethylphenyl)oxamide
CID 90497869
N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490702

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide (CID 95983351) is N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide is Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)c2cccs2)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide?
The InChIKey is ZLYPRLNWALCRBY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-11-6-7-13(9-12(11)2)19-16(21)15(20)18-10-17(3,22)14-5-4-8-23-14/h4-9,22H,10H2,1-3H3,(H,18,20)(H,19,21)/t17-/m0/s1.
What are the key properties of N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide?
N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide has a molecular weight of 332.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide is sourced from PubChem (CID 95983351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).