2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide

C25H29FN4O6S2 — CID 56943919

IUPAC2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide
SMILESCNS(=O)(=O)NC(=O)c1nc(CN(CCCc2ccccc2)C(=O)[C@H](O)c2ccc(OC)cc2F)sc1C
InChIInChI=1S/C25H29FN4O6S2/c1-16-22(24(32)29-38(34,35)27-2)28-21(37-16)15-30(13-7-10-17-8-5-4-6-9-17)25(33)23(31)19-12-11-18(36-3)14-20(19)26/h4-6,8-9,11-12,14,23,27,31H,7,10,13,15H2,1-3H3,(H,29,32)/t23-/m1/s1
InChIKeyYUWVDNHWHDLSMV-HSZRJFAPSA-N
MW564.66 g/mol
LogP2.49
Rot. Bonds12

About 2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide

2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide (PubChem CID 56943919) has the molecular formula C25H29FN4O6S2 and a molecular weight of 564.66 g/mol. Its IUPAC name is 2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide
PubChem CID56943919
Molecular FormulaC25H29FN4O6S2
Molecular Weight564.66 g/mol
Exact Mass564.15
IUPAC Name2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide
SMILESCNS(=O)(=O)NC(=O)c1nc(CN(CCCc2ccccc2)C(=O)[C@H](O)c2ccc(OC)cc2F)sc1C
InChIInChI=1S/C25H29FN4O6S2/c1-16-22(24(32)29-38(34,35)27-2)28-21(37-16)15-30(13-7-10-17-8-5-4-6-9-17)25(33)23(31)19-12-11-18(36-3)14-20(19)26/h4-6,8-9,11-12,14,23,27,31H,7,10,13,15H2,1-3H3,(H,29,32)/t23-/m1/s1
InChIKeyYUWVDNHWHDLSMV-HSZRJFAPSA-N
XLogP2.49
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.66
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-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

(R)-2-((2-(2-Fluoro-4-methoxyphenyl)-2-hydroxy-N-(3-phenylpropyl)acetamido)methyl)-5-methyl-N-(methylsulfonyl)thiazole-4-carboxamide
CID 56943915
N-(dimethylsulfamoyl)-2-[[[2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 51352520
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-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide
CID 56943619
2-[[3-(3-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-sulfamoyl-1,3-thiazole-4-carboxamide
CID 56943720
2-[[3-(2-fluorophenyl)propyl-[(2R)-2-hydroxy-2-(4-methoxyphenyl)acetyl]amino]methyl]-5-methyl-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 56943819
N-ethylsulfonyl-2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 56943916
2-[[[1-[4-(2-fluoroethoxy)phenyl]cyclopropanecarbonyl]-(3-phenylpropyl)amino]methyl]-N-(2-hydroxypropylsulfonyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 56945064
N-(dimethylsulfamoyl)-2-[[3-(4-fluorophenyl)propyl-[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 56945068
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(3-fluoro-2-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67230233
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67231121
2-cyclopropyl-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 67231576

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide (CID 56943919) is 2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide is CNS(=O)(=O)NC(=O)c1nc(CN(CCCc2ccccc2)C(=O)[C@H](O)c2ccc(OC)cc2F)sc1C.
What is the InChIKey of 2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YUWVDNHWHDLSMV-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H29FN4O6S2/c1-16-22(24(32)29-38(34,35)27-2)28-21(37-16)15-30(13-7-10-17-8-5-4-6-9-17)25(33)23(31)19-12-11-18(36-3)14-20(19)26/h4-6,8-9,11-12,14,23,27,31H,7,10,13,15H2,1-3H3,(H,29,32)/t23-/m1/s1.
What are the key properties of 2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide?
2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide has a molecular weight of 564.66 g/mol, XLogP of 2.49, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-2-(2-fluoro-4-methoxyphenyl)-2-hydroxyacetyl]-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56943919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).