(2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide

C17H20FN3O7S3 — CID 54303971

IUPAC(2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(S(C)(=O)=O)C[C@@H]3C(=O)NO)s2)cc1F
InChIInChI=1S/C17H20FN3O7S3/c1-28-14-4-3-11(9-12(14)18)15-5-6-16(29-15)31(26,27)21-8-7-20(30(2,24)25)10-13(21)17(22)19-23/h3-6,9,13,23H,7-8,10H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeySGEMEICCTMSMGR-CYBMUJFWSA-N
MW493.56 g/mol
LogP0.70
Rot. Bonds6

About (2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide

(2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide (PubChem CID 54303971) has the molecular formula C17H20FN3O7S3 and a molecular weight of 493.56 g/mol. Its IUPAC name is (2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
PubChem CID54303971
Molecular FormulaC17H20FN3O7S3
Molecular Weight493.56 g/mol
Exact Mass493.04
IUPAC Name(2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)N3CCN(S(C)(=O)=O)C[C@@H]3C(=O)NO)s2)cc1F
InChIInChI=1S/C17H20FN3O7S3/c1-28-14-4-3-11(9-12(14)18)15-5-6-16(29-15)31(26,27)21-8-7-20(30(2,24)25)10-13(21)17(22)19-23/h3-6,9,13,23H,7-8,10H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeySGEMEICCTMSMGR-CYBMUJFWSA-N
XLogP0.70
TPSA133.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
CID 18387690
sodium;(2R)-1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide;hydride
CID 173236124
(2R)-1-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonyl-4-methylsulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide
CID 54522637
4-methylsulfonyl-N-(oxan-2-yloxy)-1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]sulfonylpiperazine-2-carboxamide
CID 18387790
[4-[5-[(2R)-4-methylsulfonyl-2-(oxan-2-yloxycarbamoyl)piperazin-1-yl]sulfonylthiophen-2-yl]phenyl]methyl acetate
CID 22901471
(2R)-1-(3,5-difluoro-4-methoxyphenyl)sulfonyl-N-hydroxy-4-methylpiperazine-2-carboxamide
CID 59294698
[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 6737075
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 110818979
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43431558
(2R)-4-butanoyl-1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-(oxan-2-yloxy)piperazine-2-carboxamide
CID 54549013
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 55958260
1,4-bis(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)piperazine-2-carboxamide
CID 2864601

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide?
The IUPAC name of (2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide (CID 54303971) is (2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide is COc1ccc(-c2ccc(S(=O)(=O)N3CCN(S(C)(=O)=O)C[C@@H]3C(=O)NO)s2)cc1F.
What is the InChIKey of (2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide?
The InChIKey is SGEMEICCTMSMGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FN3O7S3/c1-28-14-4-3-11(9-12(14)18)15-5-6-16(29-15)31(26,27)21-8-7-20(30(2,24)25)10-13(21)17(22)19-23/h3-6,9,13,23H,7-8,10H2,1-2H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide?
(2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 54303971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).