N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide

C17H17NO3S — CID 143619207

IUPACN-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide
SMILESC=CCOc1ccc(Sc2ccccc2CC(=O)NO)cc1
InChIInChI=1S/C17H17NO3S/c1-2-11-21-14-7-9-15(10-8-14)22-16-6-4-3-5-13(16)12-17(19)18-20/h2-10,20H,1,11-12H2,(H,18,19)
InChIKeyFWCJCVBGDUYKFR-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.45
Rot. Bonds7

About N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide

N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide (PubChem CID 143619207) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide
PubChem CID143619207
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC NameN-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide
SMILESC=CCOc1ccc(Sc2ccccc2CC(=O)NO)cc1
InChIInChI=1S/C17H17NO3S/c1-2-11-21-14-7-9-15(10-8-14)22-16-6-4-3-5-13(16)12-17(19)18-20/h2-10,20H,1,11-12H2,(H,18,19)
InChIKeyFWCJCVBGDUYKFR-UHFFFAOYSA-N
XLogP3.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[2-[4-(4-methylsulfanylphenyl)phenyl]sulfanylphenyl]acetamide
CID 24944979
2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide
CID 4952511
N'-(2-naphthalen-1-ylacetyl)-4-prop-2-enoxybenzohydrazide
CID 4925965
1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene
CID 22556356
methyl 2-[2-(4-hydroxyphenyl)sulfanylphenyl]acetate
CID 18365028
prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278
benzyl 2-[2-(4-bromophenyl)sulfanylphenyl]acetate;benzyl 2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetate;dichloromethane;N-hydroxy-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetamide;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]acetic acid;2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]-N-phenylmethoxyacetamide
CID 158698036
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086689
2-[2-(4-methylphenyl)sulfanylphenyl]acetic acid
CID 10706368
2-methyl-N-[2-[(4-prop-2-enoxyphenyl)methylamino]ethyl]propanamide
CID 28651449
1-nitro-4-(4-prop-2-enoxyphenyl)sulfanylbenzene
CID 90378892

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide?
The IUPAC name of N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide (CID 143619207) is N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide is C=CCOc1ccc(Sc2ccccc2CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide?
The InChIKey is FWCJCVBGDUYKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-2-11-21-14-7-9-15(10-8-14)22-16-6-4-3-5-13(16)12-17(19)18-20/h2-10,20H,1,11-12H2,(H,18,19).
What are the key properties of N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide?
N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide has a molecular weight of 315.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-(4-prop-2-enoxyphenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 143619207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).