4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide

C20H19FN2O4S2 — CID 78783876

IUPAC4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3cccs3)ccc2F)cc1
InChIInChI=1S/C20H19FN2O4S2/c1-23(13-17-4-3-11-28-17)20(24)14-5-10-18(21)19(12-14)29(25,26)22-15-6-8-16(27-2)9-7-15/h3-12,22H,13H2,1-2H3
InChIKeyLCJRBRNYYVBUPN-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.97
Rot. Bonds7

About 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide

4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 78783876) has the molecular formula C20H19FN2O4S2 and a molecular weight of 434.51 g/mol. Its IUPAC name is 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID78783876
Molecular FormulaC20H19FN2O4S2
Molecular Weight434.51 g/mol
Exact Mass434.08
IUPAC Name4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3cccs3)ccc2F)cc1
InChIInChI=1S/C20H19FN2O4S2/c1-23(13-17-4-3-11-28-17)20(24)14-5-10-18(21)19(12-14)29(25,26)22-15-6-8-16(27-2)9-7-15/h3-12,22H,13H2,1-2H3
InChIKeyLCJRBRNYYVBUPN-UHFFFAOYSA-N
XLogP3.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 78824891
3-[(2-methoxyphenyl)sulfamoyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 26558435
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18170668
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 134029086
4-chloro-N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24542587
5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 38561904
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24550377
4-fluoro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238358
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 38560370
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39735566
N-[(2,4-dimethoxyphenyl)methyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 27774705
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 24537837

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 78783876) is 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3cccs3)ccc2F)cc1.
What is the InChIKey of 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is LCJRBRNYYVBUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S2/c1-23(13-17-4-3-11-28-17)20(24)14-5-10-18(21)19(12-14)29(25,26)22-15-6-8-16(27-2)9-7-15/h3-12,22H,13H2,1-2H3.
What are the key properties of 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 434.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 78783876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).