3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide

C16H15NO2S — CID 129252356

IUPAC3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide
SMILESC=CCc1c(O)cccc1C(=O)Nc1ccc(S)cc1
InChIInChI=1S/C16H15NO2S/c1-2-4-13-14(5-3-6-15(13)18)16(19)17-11-7-9-12(20)10-8-11/h2-3,5-10,18,20H,1,4H2,(H,17,19)
InChIKeyCZZQSWAVPUHYBH-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.66
Rot. Bonds4

About 3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide

3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide (PubChem CID 129252356) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide
PubChem CID129252356
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide
SMILESC=CCc1c(O)cccc1C(=O)Nc1ccc(S)cc1
InChIInChI=1S/C16H15NO2S/c1-2-4-13-14(5-3-6-15(13)18)16(19)17-11-7-9-12(20)10-8-11/h2-3,5-10,18,20H,1,4H2,(H,17,19)
InChIKeyCZZQSWAVPUHYBH-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.66
H-Bond Donors ≤ 53
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

1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one
CID 174515544
2-ethyl-3-hydroxy-N-(4-methylphenyl)benzamide
CID 144929649
2-chloro-N-(4-sulfanylphenyl)benzamide
CID 27137419
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate
CID 155748475
N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide
CID 101414769
1-[2,3-bis(prop-2-enyl)phenyl]ethanone
CID 173386054
N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
CID 114343071
N-(4-ethenoxyphenyl)-2-hydroxybenzamide
CID 3356278
2,3-dihydroxy-N-prop-2-enylbenzamide
CID 67915131
N-(4-prop-2-enylphenyl)benzamide
CID 67934091
2-hydroxy-N-phenylbenzamide
CID 157209959

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide?
The IUPAC name of 3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide (CID 129252356) is 3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide.
What is the SMILES notation for 3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide?
The canonical SMILES for 3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide is C=CCc1c(O)cccc1C(=O)Nc1ccc(S)cc1.
What is the InChIKey of 3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide?
The InChIKey is CZZQSWAVPUHYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-2-4-13-14(5-3-6-15(13)18)16(19)17-11-7-9-12(20)10-8-11/h2-3,5-10,18,20H,1,4H2,(H,17,19).
What are the key properties of 3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide?
3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide has a molecular weight of 285.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-prop-2-enyl-N-(4-sulfanylphenyl)benzamide is sourced from PubChem (CID 129252356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).