2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide

C26H30N4O6S2 — CID 51353151

IUPAC2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C(=O)N(CCCc2ccccc2)Cc2nc(C(=O)NS(N)(=O)=O)cs2)cc(OC)c1C1CC1
InChIInChI=1S/C26H30N4O6S2/c1-35-21-13-19(14-22(36-2)24(21)18-10-11-18)26(32)30(12-6-9-17-7-4-3-5-8-17)15-23-28-20(16-37-23)25(31)29-38(27,33)34/h3-5,7-8,13-14,16,18H,6,9-12,15H2,1-2H3,(H,29,31)(H2,27,33,34)
InChIKeyICARJLDZPTXFIT-UHFFFAOYSA-N
MW558.68 g/mol
LogP3.25
Rot. Bonds12

About 2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide

2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide (PubChem CID 51353151) has the molecular formula C26H30N4O6S2 and a molecular weight of 558.68 g/mol. Its IUPAC name is 2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide
PubChem CID51353151
Molecular FormulaC26H30N4O6S2
Molecular Weight558.68 g/mol
Exact Mass558.16
IUPAC Name2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(C(=O)N(CCCc2ccccc2)Cc2nc(C(=O)NS(N)(=O)=O)cs2)cc(OC)c1C1CC1
InChIInChI=1S/C26H30N4O6S2/c1-35-21-13-19(14-22(36-2)24(21)18-10-11-18)26(32)30(12-6-9-17-7-4-3-5-8-17)15-23-28-20(16-37-23)25(31)29-38(27,33)34/h3-5,7-8,13-14,16,18H,6,9-12,15H2,1-2H3,(H,29,31)(H2,27,33,34)
InChIKeyICARJLDZPTXFIT-UHFFFAOYSA-N
XLogP3.25
TPSA140.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.68
LogP ≤ 53.25
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
prop-2-enyl N-[[2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]sulfamoyl]carbamate
CID 140587736
2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-N-(3-methoxypiperidin-1-yl)sulfonyl-1,3-thiazole-4-carboxamide
CID 70349148
2-[[3-(2,4-difluorophenyl)propyl-(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide
CID 70349391
3,5-dimethoxy-4-methyl-N-[[4-[2-(2-methylpropylsulfonyl)acetyl]-1,3-thiazol-2-yl]methyl]-N-(3-phenylpropyl)benzamide
CID 147321126
ethyl 2-[[(3,5-dimethoxy-4-prop-1-en-2-ylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 70348260
2-[2-[2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-2-oxoethyl]sulfonylethyl acetate
CID 147380723
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
3,5-diethoxy-N-(3-phenylpropyl)-N-[[4-(2-sulfamoylacetyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 162167645
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
2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide
CID 51353347

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide (CID 51353151) is 2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide is COc1cc(C(=O)N(CCCc2ccccc2)Cc2nc(C(=O)NS(N)(=O)=O)cs2)cc(OC)c1C1CC1.
What is the InChIKey of 2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide?
The InChIKey is ICARJLDZPTXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6S2/c1-35-21-13-19(14-22(36-2)24(21)18-10-11-18)26(32)30(12-6-9-17-7-4-3-5-8-17)15-23-28-20(16-37-23)25(31)29-38(27,33)34/h3-5,7-8,13-14,16,18H,6,9-12,15H2,1-2H3,(H,29,31)(H2,27,33,34).
What are the key properties of 2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide?
2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide has a molecular weight of 558.68 g/mol, XLogP of 3.25, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-cyclopropyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-sulfamoyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51353151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).