N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide

C18H22N2O3S — CID 121132289

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCCC(O)c2ccsc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-12(2)13-3-5-15(6-4-13)20-18(23)17(22)19-9-7-16(21)14-8-10-24-11-14/h3-6,8,10-12,16,21H,7,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNLSKMXUAMDGJKQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.05
Rot. Bonds6

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 121132289) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID121132289
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)NCCC(O)c2ccsc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-12(2)13-3-5-15(6-4-13)20-18(23)17(22)19-9-7-16(21)14-8-10-24-11-14/h3-6,8,10-12,16,21H,7,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNLSKMXUAMDGJKQ-UHFFFAOYSA-N
XLogP3.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.05
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-methylphenyl)oxamide
CID 121132268
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-[3-(furan-3-yl)-3-hydroxypropyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 121132940
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
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99981562
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 90524620
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide
CID 111444404
1-(3,4-dimethylphenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981744
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008
N'-(2,4-difluorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 86264161

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide (CID 121132289) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide is CC(C)c1ccc(NC(=O)C(=O)NCCC(O)c2ccsc2)cc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is NLSKMXUAMDGJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12(2)13-3-5-15(6-4-13)20-18(23)17(22)19-9-7-16(21)14-8-10-24-11-14/h3-6,8,10-12,16,21H,7,9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 346.45 g/mol, XLogP of 3.05, 6 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-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 121132289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).