4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide

C21H21FN2O4S2 — CID 78824891

IUPAC4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C(C)c3cccs3)ccc2F)cc1
InChIInChI=1S/C21H21FN2O4S2/c1-14(19-5-4-12-29-19)24(2)21(25)15-6-11-18(22)20(13-15)30(26,27)23-16-7-9-17(28-3)10-8-16/h4-14,23H,1-3H3
InChIKeyFYCRCPAKXKWNJO-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.53
Rot. Bonds7

About 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide

4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 78824891) has the molecular formula C21H21FN2O4S2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID78824891
Molecular FormulaC21H21FN2O4S2
Molecular Weight448.54 g/mol
Exact Mass448.09
IUPAC Name4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C(C)c3cccs3)ccc2F)cc1
InChIInChI=1S/C21H21FN2O4S2/c1-14(19-5-4-12-29-19)24(2)21(25)15-6-11-18(22)20(13-15)30(26,27)23-16-7-9-17(28-3)10-8-16/h4-14,23H,1-3H3
InChIKeyFYCRCPAKXKWNJO-UHFFFAOYSA-N
XLogP4.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 78783876
2-fluoro-4-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 103605936
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N,4-dimethylbenzamide
CID 25407589
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 134029086
4-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55594079
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46613291
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
N-methyl-N-[(1S)-1-thiophen-2-ylethyl]-2H-benzotriazole-5-carboxamide
CID 31620123
3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 113329880
5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 60698580
4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580823
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide (CID 78824891) is 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C(C)c3cccs3)ccc2F)cc1.
What is the InChIKey of 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is FYCRCPAKXKWNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4S2/c1-14(19-5-4-12-29-19)24(2)21(25)15-6-11-18(22)20(13-15)30(26,27)23-16-7-9-17(28-3)10-8-16/h4-14,23H,1-3H3.
What are the key properties of 4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide?
4-fluoro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 448.54 g/mol, XLogP of 4.53, 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-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 78824891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).