N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide

C16H17ClN2O3S — CID 121132300

IUPACN'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCCC(O)c1ccsc1
InChIInChI=1S/C16H17ClN2O3S/c1-10-2-3-12(17)8-13(10)19-16(22)15(21)18-6-4-14(20)11-5-7-23-9-11/h2-3,5,7-9,14,20H,4,6H2,1H3,(H,18,21)(H,19,22)
InChIKeyFOCGOUSOMUCERB-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.89
Rot. Bonds5

About N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide

N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide (PubChem CID 121132300) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
PubChem CID121132300
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCCC(O)c1ccsc1
InChIInChI=1S/C16H17ClN2O3S/c1-10-2-3-12(17)8-13(10)19-16(22)15(21)18-6-4-14(20)11-5-7-23-9-11/h2-3,5,7-9,14,20H,4,6H2,1H3,(H,18,21)(H,19,22)
InChIKeyFOCGOUSOMUCERB-UHFFFAOYSA-N
XLogP2.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.89
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

N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 86264161
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 121132268
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 121132289
N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 121133274
2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132130
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90496686
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
CID 121132222
1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981744

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide (CID 121132300) is N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)NCCC(O)c1ccsc1.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide?
The InChIKey is FOCGOUSOMUCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-10-2-3-12(17)8-13(10)19-16(22)15(21)18-6-4-14(20)11-5-7-23-9-11/h2-3,5,7-9,14,20H,4,6H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide?
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide has a molecular weight of 352.84 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide is sourced from PubChem (CID 121132300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).