N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

C26H29F3N4O5S2 — CID 70349195

IUPACN-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(CN(CCCc2ccccc2)C(=O)Cc2ccccc2OC(F)(F)F)nc1C(=O)NS(=O)(=O)N(C)C
InChIInChI=1S/C26H29F3N4O5S2/c1-18-24(25(35)31-40(36,37)32(2)3)30-22(39-18)17-33(15-9-12-19-10-5-4-6-11-19)23(34)16-20-13-7-8-14-21(20)38-26(27,28)29/h4-8,10-11,13-14H,9,12,15-17H2,1-3H3,(H,31,35)
InChIKeyPHMDIIZRZVXXGN-UHFFFAOYSA-N
MW598.67 g/mol
LogP4.09
Rot. Bonds12

About N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 70349195) has the molecular formula C26H29F3N4O5S2 and a molecular weight of 598.67 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID70349195
Molecular FormulaC26H29F3N4O5S2
Molecular Weight598.67 g/mol
Exact Mass598.15
IUPAC NameN-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1sc(CN(CCCc2ccccc2)C(=O)Cc2ccccc2OC(F)(F)F)nc1C(=O)NS(=O)(=O)N(C)C
InChIInChI=1S/C26H29F3N4O5S2/c1-18-24(25(35)31-40(36,37)32(2)3)30-22(39-18)17-33(15-9-12-19-10-5-4-6-11-19)23(34)16-20-13-7-8-14-21(20)38-26(27,28)29/h4-8,10-11,13-14H,9,12,15-17H2,1-3H3,(H,31,35)
InChIKeyPHMDIIZRZVXXGN-UHFFFAOYSA-N
XLogP4.09
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.67
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[[2-(2,4-dimethoxyphenyl)acetyl]-(3-phenylpropyl)amino]methyl]-N-(ethylsulfamoyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 70349241
N-(dimethylsulfamoyl)-2-[[[2-hydroxy-2-(6-methoxy-3-pyridinyl)acetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 51352521
2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-N-[2-fluoroethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 51353409
N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 70349258
2-[[[2-[4-(2,2-difluoroethoxy)-2-fluorophenoxy]acetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide
CID 56943623
2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide
CID 51353347
2-[[carboxy(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 70349303
tert-butyl N-[[5-methyl-4-(2-sulfamoylacetyl)-1,3-thiazol-2-yl]methyl]-N-(3-phenylpropyl)carbamate
CID 157180972
2-[[3-(5-chlorothiophen-2-yl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-N-(dimethylsulfamoyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 56943620
2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-hydroxyethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 70349244
2-[[[3,5-dimethoxy-4-(2,2,2-trifluoroethoxymethyl)benzoyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 70347953
ethyl 2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348151

Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (CID 70349195) is N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is Cc1sc(CN(CCCc2ccccc2)C(=O)Cc2ccccc2OC(F)(F)F)nc1C(=O)NS(=O)(=O)N(C)C.
What is the InChIKey of N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PHMDIIZRZVXXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O5S2/c1-18-24(25(35)31-40(36,37)32(2)3)30-22(39-18)17-33(15-9-12-19-10-5-4-6-11-19)23(34)16-20-13-7-8-14-21(20)38-26(27,28)29/h4-8,10-11,13-14H,9,12,15-17H2,1-3H3,(H,31,35).
What are the key properties of N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 598.67 g/mol, XLogP of 4.09, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70349195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).