4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide

C22H23FN2O5S2 — CID 23514170

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide
SMILESCOc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)csc2CCCC(=O)N(C)O)cc1F
InChIInChI=1S/C22H23FN2O5S2/c1-25(27)21(26)9-5-7-19-22(14-10-11-18(30-2)17(23)12-14)16(13-31-19)15-6-3-4-8-20(15)32(24,28)29/h3-4,6,8,10-13,27H,5,7,9H2,1-2H3,(H2,24,28,29)
InChIKeyVAUPMNLCRMGSSP-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.05
Rot. Bonds8

About 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide

4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide (PubChem CID 23514170) has the molecular formula C22H23FN2O5S2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide
PubChem CID23514170
Molecular FormulaC22H23FN2O5S2
Molecular Weight478.57 g/mol
Exact Mass478.10
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide
SMILESCOc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)csc2CCCC(=O)N(C)O)cc1F
InChIInChI=1S/C22H23FN2O5S2/c1-25(27)21(26)9-5-7-19-22(14-10-11-18(30-2)17(23)12-14)16(13-31-19)15-6-3-4-8-20(15)32(24,28)29/h3-4,6,8,10-13,27H,5,7,9H2,1-2H3,(H2,24,28,29)
InChIKeyVAUPMNLCRMGSSP-UHFFFAOYSA-N
XLogP4.05
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 16032114
CID 16032114
CID 5744460
CID 5744460
CID 22505289
CID 22505289
CID 22505322
CID 22505322
CID 22505411
CID 22505411
CID 22505669
CID 22505669
CID 59704063
CID 59704063
CID 87973560
CID 87973560
CID 87973585
CID 87973585
CID 87974188
CID 87974188
CID 88041221
CID 88041221
CID 88196524
CID 88196524

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide (CID 23514170) is 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide is COc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)csc2CCCC(=O)N(C)O)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide?
The InChIKey is VAUPMNLCRMGSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5S2/c1-25(27)21(26)9-5-7-19-22(14-10-11-18(30-2)17(23)12-14)16(13-31-19)15-6-3-4-8-20(15)32(24,28)29/h3-4,6,8,10-13,27H,5,7,9H2,1-2H3,(H2,24,28,29).
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide?
4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide has a molecular weight of 478.57 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)-4-(2-sulfamoylphenyl)thiophen-2-yl]-N-hydroxy-N-methylbutanamide is sourced from PubChem (CID 23514170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).