2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide

C24H26F2N4O6S2 — CID 70349391

IUPAC2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C(=O)N(CCCc2ccc(F)cc2F)Cc2nc(C(=O)NS(N)(=O)=O)cs2)cc(OC)c1C
InChIInChI=1S/C24H26F2N4O6S2/c1-14-20(35-2)9-16(10-21(14)36-3)24(32)30(8-4-5-15-6-7-17(25)11-18(15)26)12-22-28-19(13-37-22)23(31)29-38(27,33)34/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,29,31)(H2,27,33,34)
InChIKeyASRCESZUOCBDBA-UHFFFAOYSA-N
MW568.62 g/mol
LogP2.96
Rot. Bonds11

About 2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide

2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide (PubChem CID 70349391) has the molecular formula C24H26F2N4O6S2 and a molecular weight of 568.62 g/mol. Its IUPAC name is 2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide
PubChem CID70349391
Molecular FormulaC24H26F2N4O6S2
Molecular Weight568.62 g/mol
Exact Mass568.13
IUPAC Name2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C(=O)N(CCCc2ccc(F)cc2F)Cc2nc(C(=O)NS(N)(=O)=O)cs2)cc(OC)c1C
InChIInChI=1S/C24H26F2N4O6S2/c1-14-20(35-2)9-16(10-21(14)36-3)24(32)30(8-4-5-15-6-7-17(25)11-18(15)26)12-22-28-19(13-37-22)23(31)29-38(27,33)34/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,29,31)(H2,27,33,34)
InChIKeyASRCESZUOCBDBA-UHFFFAOYSA-N
XLogP2.96
TPSA140.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.62
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-N-(2-hydroxyethylsulfonyl)-1,3-thiazole-4-carboxamide
CID 70349248
2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide
CID 51353151
prop-2-enyl N-[[2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]sulfamoyl]carbamate
CID 140587736
ethyl 2-[[3-(2,6-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 70348112
2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-N-(3-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxamide
CID 70349148
3,5-dimethoxy-4-methyl-N-[[4-[2-(2-methylpropylsulfonyl)acetyl]-1,3-thiazol-2-yl]methyl]-N-(3-phenylpropyl)benzamide
CID 147321126
2-[2-[2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-2-oxoethyl]sulfonylethyl acetate
CID 147380723
sodium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazol-4-yl]methanesulfonate
CID 51352950
4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-N-(methylsulfamoyl)-1,3-thiazole-2-carboxamide
CID 70349194
methyl N-[2-[2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-2-oxoethyl]sulfonyl-N-prop-2-enylcarbamate
CID 160546035
ethyl 2-[[(3,5-dimethoxy-4-prop-1-en-2-ylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 70348260
2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-N-[2-fluoroethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 51353409

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide (CID 70349391) is 2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide is COc1cc(C(=O)N(CCCc2ccc(F)cc2F)Cc2nc(C(=O)NS(N)(=O)=O)cs2)cc(OC)c1C.
What is the InChIKey of 2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide?
The InChIKey is ASRCESZUOCBDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O6S2/c1-14-20(35-2)9-16(10-21(14)36-3)24(32)30(8-4-5-15-6-7-17(25)11-18(15)26)12-22-28-19(13-37-22)23(31)29-38(27,33)34/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,29,31)(H2,27,33,34).
What are the key properties of 2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide?
2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide has a molecular weight of 568.62 g/mol, XLogP of 2.96, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70349391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).