N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide

C15H15ClN2O3S — CID 90524242

IUPACN'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide
SMILESO=C(NCCC(O)c1cccs1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H15ClN2O3S/c16-10-4-1-2-5-11(10)18-15(21)14(20)17-8-7-12(19)13-6-3-9-22-13/h1-6,9,12,19H,7-8H2,(H,17,20)(H,18,21)
InChIKeyZSMVNJGBKQYCAN-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.58
Rot. Bonds5

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

N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide (PubChem CID 90524242) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide
PubChem CID90524242
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC NameN'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide
SMILESO=C(NCCC(O)c1cccs1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H15ClN2O3S/c16-10-4-1-2-5-11(10)18-15(21)14(20)17-8-7-12(19)13-6-3-9-22-13/h1-6,9,12,19H,7-8H2,(H,17,20)(H,18,21)
InChIKeyZSMVNJGBKQYCAN-UHFFFAOYSA-N
XLogP2.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983547
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90524247
N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782312
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981751
N'-(2-chlorophenyl)-N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 18577798
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868
N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893726
N'-(2-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765505
N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 95368316
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
(2S)-4-[(2-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114006714

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide (CID 90524242) is N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide is O=C(NCCC(O)c1cccs1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide?
The InChIKey is ZSMVNJGBKQYCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c16-10-4-1-2-5-11(10)18-15(21)14(20)17-8-7-12(19)13-6-3-9-22-13/h1-6,9,12,19H,7-8H2,(H,17,20)(H,18,21).
What are the key properties of N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide?
N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide has a molecular weight of 338.82 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide is sourced from PubChem (CID 90524242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).