4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide

C13H15NO2S — CID 90242663

IUPAC4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(O)cc1S
InChIInChI=1S/C13H15NO2S/c1-3-7-14(8-4-2)13(16)11-6-5-10(15)9-12(11)17/h3-6,9,15,17H,1-2,7-8H2
InChIKeyDRCYAZSIWWAUPC-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.50
Rot. Bonds5

About 4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide

4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide (PubChem CID 90242663) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide
PubChem CID90242663
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(O)cc1S
InChIInChI=1S/C13H15NO2S/c1-3-7-14(8-4-2)13(16)11-6-5-10(15)9-12(11)17/h3-6,9,15,17H,1-2,7-8H2
InChIKeyDRCYAZSIWWAUPC-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-prop-2-enylamino]acetate
CID 103874553
N-ethyl-N-prop-2-enyl-2-sulfanylbenzamide
CID 107033485
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 81443489
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
N,N-diethyl-4-hydroxy-2-methylbenzamide
CID 103863610
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
2,3-difluoro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 105380282
ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate
CID 78978801
2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide
CID 103800385

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide?
The IUPAC name of 4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide (CID 90242663) is 4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide.
What is the SMILES notation for 4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide?
The canonical SMILES for 4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide is C=CCN(CC=C)C(=O)c1ccc(O)cc1S.
What is the InChIKey of 4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide?
The InChIKey is DRCYAZSIWWAUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-3-7-14(8-4-2)13(16)11-6-5-10(15)9-12(11)17/h3-6,9,15,17H,1-2,7-8H2.
What are the key properties of 4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide?
4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide has a molecular weight of 249.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-bis(prop-2-enyl)-2-sulfanylbenzamide is sourced from PubChem (CID 90242663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).