N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide

C15H15ClN2O3S — CID 97414510

IUPACN'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide
SMILESCO[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccsc1
InChIInChI=1S/C15H15ClN2O3S/c1-21-13(10-6-7-22-9-10)8-17-14(19)15(20)18-12-5-3-2-4-11(12)16/h2-7,9,13H,8H2,1H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyDUWBRBXGJDJJCV-CYBMUJFWSA-N
MW338.82 g/mol
LogP2.84
Rot. Bonds5

About N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide

N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide (PubChem CID 97414510) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide
PubChem CID97414510
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC NameN'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide
SMILESCO[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccsc1
InChIInChI=1S/C15H15ClN2O3S/c1-21-13(10-6-7-22-9-10)8-17-14(19)15(20)18-12-5-3-2-4-11(12)16/h2-7,9,13H,8H2,1H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyDUWBRBXGJDJJCV-CYBMUJFWSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]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

1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97417096
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
CID 90584146
N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide
CID 90584123
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 97417576
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-(2-chlorophenyl)oxamide
CID 16932602
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414515
N'-(3-chloro-2-methylphenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
CID 16932117
1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584205
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 90584171
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide (CID 97414510) is N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide is CO[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccsc1.
What is the InChIKey of N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide?
The InChIKey is DUWBRBXGJDJJCV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-21-13(10-6-7-22-9-10)8-17-14(19)15(20)18-12-5-3-2-4-11(12)16/h2-7,9,13H,8H2,1H3,(H,17,19)(H,18,20)/t13-/m1/s1.
What are the key properties of N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide?
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide has a molecular weight of 338.82 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide is sourced from PubChem (CID 97414510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).