N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide

C16H17ClN2O3S — CID 97417576

IUPACN'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
SMILESCO[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccc(C)s1
InChIInChI=1S/C16H17ClN2O3S/c1-10-7-8-14(23-10)13(22-2)9-18-15(20)16(21)19-12-6-4-3-5-11(12)17/h3-8,13H,9H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyCVSDJSZZBXEFFV-ZDUSSCGKSA-N
MW352.84 g/mol
LogP3.15
Rot. Bonds5

About N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide

N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide (PubChem CID 97417576) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
PubChem CID97417576
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
SMILESCO[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccc(C)s1
InChIInChI=1S/C16H17ClN2O3S/c1-10-7-8-14(23-10)13(22-2)9-18-15(20)16(21)19-12-6-4-3-5-11(12)17/h3-8,13H,9H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyCVSDJSZZBXEFFV-ZDUSSCGKSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 90598595
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414510
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595
N'-(3-fluorophenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598559
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631
N'-(4-ethoxyphenyl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide
CID 90598587
N'-(3-chloro-2-methylphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598984
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 90623949
2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598394
1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598641
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 90598345
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide
CID 90598426

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide (CID 97417576) is N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide is CO[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccc(C)s1.
What is the InChIKey of N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
The InChIKey is CVSDJSZZBXEFFV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-10-7-8-14(23-10)13(22-2)9-18-15(20)16(21)19-12-6-4-3-5-11(12)17/h3-8,13H,9H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide?
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]oxamide has a molecular weight of 352.84 g/mol, XLogP of 3.15, 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-(5-methylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 97417576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).