N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide

C27H33N5O5S2 — CID 70349258

IUPACN-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N(CCCc3ccccc3)Cc3nc(C(=O)NS(=O)(=O)N(C)C)c(C)s3)CC2)cn1
InChIInChI=1S/C27H33N5O5S2/c1-19-24(25(33)30-39(35,36)31(2)3)29-23(38-19)18-32(16-8-11-20-9-6-5-7-10-20)26(34)27(14-15-27)21-12-13-22(37-4)28-17-21/h5-7,9-10,12-13,17H,8,11,14-16,18H2,1-4H3,(H,30,33)
InChIKeyNZSRUCPUUDVSOZ-UHFFFAOYSA-N
MW571.73 g/mol
LogP3.08
Rot. Bonds12

About N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide

N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 70349258) has the molecular formula C27H33N5O5S2 and a molecular weight of 571.73 g/mol. Its IUPAC name is N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID70349258
Molecular FormulaC27H33N5O5S2
Molecular Weight571.73 g/mol
Exact Mass571.19
IUPAC NameN-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N(CCCc3ccccc3)Cc3nc(C(=O)NS(=O)(=O)N(C)C)c(C)s3)CC2)cn1
InChIInChI=1S/C27H33N5O5S2/c1-19-24(25(33)30-39(35,36)31(2)3)29-23(38-19)18-32(16-8-11-20-9-6-5-7-10-20)26(34)27(14-15-27)21-12-13-22(37-4)28-17-21/h5-7,9-10,12-13,17H,8,11,14-16,18H2,1-4H3,(H,30,33)
InChIKeyNZSRUCPUUDVSOZ-UHFFFAOYSA-N
XLogP3.08
TPSA121.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.73
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-chlorothiophen-2-yl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-N-(dimethylsulfamoyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 56943620
N-(dimethylsulfamoyl)-5-methyl-2-[[3-phenylpropyl-[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 70349195
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-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide
CID 51353347
2-[[[2-(2,4-dimethoxyphenyl)acetyl]-(3-phenylpropyl)amino]methyl]-N-(ethylsulfamoyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 70349241
2-[[carboxy(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 70349303
(2R)-N-[3-(3-chlorophenyl)propyl]-N-[[4-[2-(dimethylsulfamoyl)acetyl]-5-methyl-1,3-thiazol-2-yl]methyl]-2-hydroxy-2-(6-methoxy-3-pyridinyl)acetamide
CID 152846839
2-[[[2-[4-(2,2-difluoroethoxy)-2-fluorophenoxy]acetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide
CID 56943623
ethyl 2-[[3-(3-chlorophenyl)propyl-[1-(5-methoxy-2-pyridinyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 70348274
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
tert-butyl N-[[5-methyl-4-(2-sulfamoylacetyl)-1,3-thiazol-2-yl]methyl]-N-(3-phenylpropyl)carbamate
CID 157180972

Frequently Asked Questions

What is the IUPAC name of N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide (CID 70349258) is N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide is COc1ccc(C2(C(=O)N(CCCc3ccccc3)Cc3nc(C(=O)NS(=O)(=O)N(C)C)c(C)s3)CC2)cn1.
What is the InChIKey of N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NZSRUCPUUDVSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O5S2/c1-19-24(25(33)30-39(35,36)31(2)3)29-23(38-19)18-32(16-8-11-20-9-6-5-7-10-20)26(34)27(14-15-27)21-12-13-22(37-4)28-17-21/h5-7,9-10,12-13,17H,8,11,14-16,18H2,1-4H3,(H,30,33).
What are the key properties of N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide?
N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 571.73 g/mol, XLogP of 3.08, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylsulfamoyl)-2-[[[1-(6-methoxy-3-pyridinyl)cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70349258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).