N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide

C17H18N2O3S — CID 121134301

IUPACN'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCc1ccc(C(O)c2ccccc2)s1
InChIInChI=1S/C17H18N2O3S/c1-2-10-18-16(21)17(22)19-11-13-8-9-14(23-13)15(20)12-6-4-3-5-7-12/h2-9,15,20H,1,10-11H2,(H,18,21)(H,19,22)
InChIKeyLKWRIMPSAVHAJW-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.75
Rot. Bonds6

About N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide

N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide (PubChem CID 121134301) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide
PubChem CID121134301
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCc1ccc(C(O)c2ccccc2)s1
InChIInChI=1S/C17H18N2O3S/c1-2-10-18-16(21)17(22)19-11-13-8-9-14(23-13)15(20)12-6-4-3-5-7-12/h2-9,15,20H,1,10-11H2,(H,18,21)(H,19,22)
InChIKeyLKWRIMPSAVHAJW-UHFFFAOYSA-N
XLogP1.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
CID 121134072
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 121134338
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 121134188
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-phenylbutanamide
CID 121134118
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide
CID 121134132
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-N'-(1-phenylethyl)oxamide
CID 121133968
1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134396
2-cyclopentyl-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]acetamide
CID 99882758
3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
CID 99981817
1-(3,5-dimethylphenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134389
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide
CID 121134090
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide
CID 121134099

Frequently Asked Questions

What is the IUPAC name of N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide (CID 121134301) is N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCc1ccc(C(O)c2ccccc2)s1.
What is the InChIKey of N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide?
The InChIKey is LKWRIMPSAVHAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-2-10-18-16(21)17(22)19-11-13-8-9-14(23-13)15(20)12-6-4-3-5-7-12/h2-9,15,20H,1,10-11H2,(H,18,21)(H,19,22).
What are the key properties of N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide?
N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide has a molecular weight of 330.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 121134301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).