3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide

C24H22F3N3O5S — CID 118037987

IUPAC3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(Cc2cc(F)cc(F)c2)NC(=O)NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H22F3N3O5S/c1-30(18-7-9-19(35-2)10-8-18)23(31)21(13-15-11-16(25)14-17(26)12-15)28-24(32)29-36(33,34)22-6-4-3-5-20(22)27/h3-12,14,21H,13H2,1-2H3,(H2,28,29,32)
InChIKeyRUMGUCRJASMYLO-UHFFFAOYSA-N
MW521.52 g/mol
LogP3.37
Rot. Bonds8

About 3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide

3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 118037987) has the molecular formula C24H22F3N3O5S and a molecular weight of 521.52 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID118037987
Molecular FormulaC24H22F3N3O5S
Molecular Weight521.52 g/mol
Exact Mass521.12
IUPAC Name3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(Cc2cc(F)cc(F)c2)NC(=O)NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C24H22F3N3O5S/c1-30(18-7-9-19(35-2)10-8-18)23(31)21(13-15-11-16(25)14-17(26)12-15)28-24(32)29-36(33,34)22-6-4-3-5-20(22)27/h3-12,14,21H,13H2,1-2H3,(H2,28,29,32)
InChIKeyRUMGUCRJASMYLO-UHFFFAOYSA-N
XLogP3.37
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(1,3-benzothiazol-5-yl)-3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-methylpropanamide
CID 118038284
(2S)-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)-N-methyl-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 175228171
(2S)-3-(3,5-difluorophenyl)-N-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]propanamide
CID 122523356
N-(4-methoxyphenyl)-2-[[(4-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 134378241
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-methyl-3-phenylpropanamide
CID 122510020
(2S)-N-(4-methoxyphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-thiophen-2-ylpropanamide
CID 118037824
N-(1,3-benzothiazol-5-yl)-3-(3,5-difluorophenyl)-2-[(2,4-difluorophenyl)sulfonylcarbamoylamino]-N-methylpropanamide
CID 118037718
(2S)-N-(4-methoxyphenyl)-2-[[(3-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 122648437
(2S)-2-[(4-chloro-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)sulfonylcarbamoylamino]-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)-N-methylpropanamide;sulfane
CID 159913639
N-(1,3-benzothiazol-5-yl)-3-(3,5-difluorophenyl)-2-[[(3-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methylpropanamide
CID 145175384
(2S)-N-(4-methoxyphenyl)-2-[[(2-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 122648448
(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118038110

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of 3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide (CID 118037987) is 3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide is COc1ccc(N(C)C(=O)C(Cc2cc(F)cc(F)c2)NC(=O)NS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is RUMGUCRJASMYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O5S/c1-30(18-7-9-19(35-2)10-8-18)23(31)21(13-15-11-16(25)14-17(26)12-15)28-24(32)29-36(33,34)22-6-4-3-5-20(22)27/h3-12,14,21H,13H2,1-2H3,(H2,28,29,32).
What are the key properties of 3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide?
3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 521.52 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-2-[(2-fluorophenyl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 118037987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).