N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide

C16H18N2O3S — CID 121132268

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCC(O)c2ccsc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-11-2-4-13(5-3-11)18-16(21)15(20)17-8-6-14(19)12-7-9-22-10-12/h2-5,7,9-10,14,19H,6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyPGXYREDYLZIFJE-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.23
Rot. Bonds5

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide (PubChem CID 121132268) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide
PubChem CID121132268
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCC(O)c2ccsc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-11-2-4-13(5-3-11)18-16(21)15(20)17-8-6-14(19)12-7-9-22-10-12/h2-5,7,9-10,14,19H,6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyPGXYREDYLZIFJE-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.23
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-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 121132289
N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132291
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132300
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 99981653
1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981744
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99981562
N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 86264161
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90496691
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 90524589
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90496666

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide (CID 121132268) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCC(O)c2ccsc2)cc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide?
The InChIKey is PGXYREDYLZIFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-2-4-13(5-3-11)18-16(21)15(20)17-8-6-14(19)12-7-9-22-10-12/h2-5,7,9-10,14,19H,6,8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide has a molecular weight of 318.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 121132268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).