5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide

C19H16FNO4S2 — CID 10669008

IUPAC5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
SMILESCN(O)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNO4S2/c1-21(23)19(22)17-11-16(12-5-9-15(10-6-12)27(2,24)25)18(26-17)13-3-7-14(20)8-4-13/h3-11,23H,1-2H3
InChIKeyXZEMVRRDBWDFGC-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.09
Rot. Bonds4

About 5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide

5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide (PubChem CID 10669008) has the molecular formula C19H16FNO4S2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
PubChem CID10669008
Molecular FormulaC19H16FNO4S2
Molecular Weight405.47 g/mol
Exact Mass405.05
IUPAC Name5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide
SMILESCN(O)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H16FNO4S2/c1-21(23)19(22)17-11-16(12-5-9-15(10-6-12)27(2,24)25)18(26-17)13-3-7-14(20)8-4-13/h3-11,23H,1-2H3
InChIKeyXZEMVRRDBWDFGC-UHFFFAOYSA-N
XLogP4.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
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

CID 89665061
CID 89665061
CID 9207728
CID 9207728
CID 16032156
CID 16032156
CID 24685808
CID 24685808
CID 24819439
CID 24819439
CID 16030863
CID 16030863
CID 24235034
CID 24235034
CID 24687174
CID 24687174
CID 29856455
CID 29856455
CID 40141450
CID 40141450
CID 46082635
CID 46082635
CID 71809231
CID 71809231

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide (CID 10669008) is 5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide is CN(O)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
The InChIKey is XZEMVRRDBWDFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S2/c1-21(23)19(22)17-11-16(12-5-9-15(10-6-12)27(2,24)25)18(26-17)13-3-7-14(20)8-4-13/h3-11,23H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-hydroxy-N-methyl-4-(4-methylsulfonylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 10669008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).