2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide

C18H17NO3S — CID 10268288

IUPAC2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide
SMILESCC#CCOc1ccc(SC(C(=O)NO)c2ccccc2)cc1
InChIInChI=1S/C18H17NO3S/c1-2-3-13-22-15-9-11-16(12-10-15)23-17(18(20)19-21)14-7-5-4-6-8-14/h4-12,17,21H,13H2,1H3,(H,19,20)
InChIKeyCDIBBFPULKXHGN-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.43
Rot. Bonds6

About 2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide

2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide (PubChem CID 10268288) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide
PubChem CID10268288
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide
SMILESCC#CCOc1ccc(SC(C(=O)NO)c2ccccc2)cc1
InChIInChI=1S/C18H17NO3S/c1-2-3-13-22-15-9-11-16(12-10-15)23-17(18(20)19-21)14-7-5-4-6-8-14/h4-12,17,21H,13H2,1H3,(H,19,20)
InChIKeyCDIBBFPULKXHGN-UHFFFAOYSA-N
XLogP3.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-but-2-ynoxyphenyl)sulfanyl-2-phenylacetic acid
CID 11438364
(2R)-2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-(4-thiophen-2-ylphenyl)acetamide
CID 142651595
ethyl 2-(4-but-2-ynoxyphenyl)sulfanyl-2-naphthalen-1-ylacetate
CID 141025567
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
3-benzylsulfanyl-2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-N-hydroxy-3-methylbutanamide
CID 87612234
4-but-2-ynoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 59323933
2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide
CID 2905293
2-(4-but-2-ynoxyphenyl)sulfinyl-2-(4-ethoxyphenyl)-N-hydroxyacetamide
CID 10200222
2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide
CID 63580914
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfanyl-N-methylsulfonyl-2-phenylacetamide
CID 10278412
2-[[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785382
2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-3-methylsulfanylbutanamide
CID 10271493

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide?
The IUPAC name of 2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide (CID 10268288) is 2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide is CC#CCOc1ccc(SC(C(=O)NO)c2ccccc2)cc1.
What is the InChIKey of 2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide?
The InChIKey is CDIBBFPULKXHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-2-3-13-22-15-9-11-16(12-10-15)23-17(18(20)19-21)14-7-5-4-6-8-14/h4-12,17,21H,13H2,1H3,(H,19,20).
What are the key properties of 2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide?
2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide has a molecular weight of 327.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-2-ynoxyphenyl)sulfanyl-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 10268288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).