(2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide

C17H15FN2O4S2 — CID 10200653

IUPAC(2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide
SMILESO=C(NO)[C@H](NS(=O)(=O)Cc1ccc2sccc2c1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O4S2/c18-14-4-2-12(3-5-14)16(17(21)19-22)20-26(23,24)10-11-1-6-15-13(9-11)7-8-25-15/h1-9,16,20,22H,10H2,(H,19,21)/t16-/m1/s1
InChIKeyIYSGTURGIZFOGE-MRXNPFEDSA-N
MW394.45 g/mol
LogP2.71
Rot. Bonds6

About (2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide

(2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide (PubChem CID 10200653) has the molecular formula C17H15FN2O4S2 and a molecular weight of 394.45 g/mol. Its IUPAC name is (2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide
PubChem CID10200653
Molecular FormulaC17H15FN2O4S2
Molecular Weight394.45 g/mol
Exact Mass394.05
IUPAC Name(2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide
SMILESO=C(NO)[C@H](NS(=O)(=O)Cc1ccc2sccc2c1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O4S2/c18-14-4-2-12(3-5-14)16(17(21)19-22)20-26(23,24)10-11-1-6-15-13(9-11)7-8-25-15/h1-9,16,20,22H,10H2,(H,19,21)/t16-/m1/s1
InChIKeyIYSGTURGIZFOGE-MRXNPFEDSA-N
XLogP2.71
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[(1R)-1-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(hydroxyamino)-2-oxoethyl]phenyl] trifluoromethanesulfonate
CID 10118981
1-benzothiophen-5-ylmethanesulfonyl chloride
CID 11322580
(2R)-N-hydroxy-2-(naphthalen-2-ylmethylsulfonylamino)propanamide
CID 163972165
2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
N-[1-(1-benzothiophen-5-ylmethylsulfonyl)-3-methylbutyl]-N-hydroxyformamide
CID 87987136
N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 65194114
methyl 2-[(4-fluorophenyl)methylsulfonylamino]-3-methylbutanoate
CID 43410348
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
CID 60715311
(2R)-2-(4-fluorophenyl)-2-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonylamino]-N-hydroxyacetamide
CID 18727195
N-[(1S)-2-(1-benzothiophen-5-ylmethylsulfonyl)-1-(4-methoxyphenyl)ethyl]hydroxylamine;[[(1S)-2-(1-benzothiophen-5-ylmethylsulfonyl)-1-(4-methoxyphenyl)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino] tert-butyl carbonate
CID 87986866
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide?
The IUPAC name of (2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide (CID 10200653) is (2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide.
What is the SMILES notation for (2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide?
The canonical SMILES for (2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide is O=C(NO)[C@H](NS(=O)(=O)Cc1ccc2sccc2c1)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide?
The InChIKey is IYSGTURGIZFOGE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15FN2O4S2/c18-14-4-2-12(3-5-14)16(17(21)19-22)20-26(23,24)10-11-1-6-15-13(9-11)7-8-25-15/h1-9,16,20,22H,10H2,(H,19,21)/t16-/m1/s1.
What are the key properties of (2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide?
(2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide has a molecular weight of 394.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-benzothiophen-5-ylmethylsulfonylamino)-2-(4-fluorophenyl)-N-hydroxyacetamide is sourced from PubChem (CID 10200653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).