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

C24H26ClN3O6S2 — CID 51353081

IUPAC5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N(CCCc2ccccc2)Cc2nc(C(=O)NS(C)(=O)=O)c(Cl)s2)c1
InChIInChI=1S/C24H26ClN3O6S2/c1-33-18-12-17(13-19(14-18)34-2)24(30)28(11-7-10-16-8-5-4-6-9-16)15-20-26-21(22(25)35-20)23(29)27-36(3,31)32/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3,(H,27,29)
InChIKeyVVGHZQUGGNTJAJ-UHFFFAOYSA-N
MW552.07 g/mol
LogP3.78
Rot. Bonds11

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

5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide (PubChem CID 51353081) has the molecular formula C24H26ClN3O6S2 and a molecular weight of 552.07 g/mol. Its IUPAC name is 5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide
PubChem CID51353081
Molecular FormulaC24H26ClN3O6S2
Molecular Weight552.07 g/mol
Exact Mass551.10
IUPAC Name5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N(CCCc2ccccc2)Cc2nc(C(=O)NS(C)(=O)=O)c(Cl)s2)c1
InChIInChI=1S/C24H26ClN3O6S2/c1-33-18-12-17(13-19(14-18)34-2)24(30)28(11-7-10-16-8-5-4-6-9-16)15-20-26-21(22(25)35-20)23(29)27-36(3,31)32/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3,(H,27,29)
InChIKeyVVGHZQUGGNTJAJ-UHFFFAOYSA-N
XLogP3.78
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.07
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348151
2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide
CID 51353347
2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-N-[2-fluoroethyl(methyl)sulfamoyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 51353409
2-[[[2-(2,4-dimethoxyphenyl)acetyl]-(3-phenylpropyl)amino]methyl]-N-(ethylsulfamoyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 70349241
2-[4-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]acetic acid
CID 66775190
5-bromo-N-ethylsulfonyl-2-[[[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 70349528
2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-5-(methoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 70347981
2-[benzyl-[2-(3-methoxyphenyl)ethyl]amino]-5-methyl-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 129235493
N-butyl-N-[(2-chloroquinolin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 42706440
5-chloro-2-[4-cyano-N-[(4-methoxyphenyl)methyl]anilino]-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 129235667
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
2-[2-[4-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]phenyl]acetic acid
CID 66773977

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide (CID 51353081) is 5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide is COc1cc(OC)cc(C(=O)N(CCCc2ccccc2)Cc2nc(C(=O)NS(C)(=O)=O)c(Cl)s2)c1.
What is the InChIKey of 5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide?
The InChIKey is VVGHZQUGGNTJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O6S2/c1-33-18-12-17(13-19(14-18)34-2)24(30)28(11-7-10-16-8-5-4-6-9-16)15-20-26-21(22(25)35-20)23(29)27-36(3,31)32/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3,(H,27,29).
What are the key properties of 5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide?
5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide has a molecular weight of 552.07 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[(3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-N-methylsulfonyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51353081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).