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

C27H33FN4O7S2 — CID 70349244

IUPAC2-[[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
SMILESCOc1ccc([C@@H](O)C(=O)N(CCCc2cccc(F)c2)Cc2nc(C(=O)NS(=O)(=O)N(C)CCO)c(C)s2)cc1
InChIInChI=1S/C27H33FN4O7S2/c1-18-24(26(35)30-41(37,38)31(2)14-15-33)29-23(40-18)17-32(13-5-7-19-6-4-8-21(28)16-19)27(36)25(34)20-9-11-22(39-3)12-10-20/h4,6,8-12,16,25,33-34H,5,7,13-15,17H2,1-3H3,(H,30,35)/t25-/m1/s1
InChIKeyDHXZFYOYWJZYPK-RUZDIDTESA-N
MW608.71 g/mol
LogP2.19
Rot. Bonds14

About 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

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 (PubChem CID 70349244) has the molecular formula C27H33FN4O7S2 and a molecular weight of 608.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID70349244
Molecular FormulaC27H33FN4O7S2
Molecular Weight608.71 g/mol
Exact Mass608.18
IUPAC Name2-[[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
SMILESCOc1ccc([C@@H](O)C(=O)N(CCCc2cccc(F)c2)Cc2nc(C(=O)NS(=O)(=O)N(C)CCO)c(C)s2)cc1
InChIInChI=1S/C27H33FN4O7S2/c1-18-24(26(35)30-41(37,38)31(2)14-15-33)29-23(40-18)17-32(13-5-7-19-6-4-8-21(28)16-19)27(36)25(34)20-9-11-22(39-3)12-10-20/h4,6,8-12,16,25,33-34H,5,7,13-15,17H2,1-3H3,(H,30,35)/t25-/m1/s1
InChIKeyDHXZFYOYWJZYPK-RUZDIDTESA-N
XLogP2.19
TPSA149.37 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.71
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc([C@@H](O)C(=O)N(CCCc2cccc(F)c2)Cc2nc(C(=O)NS(=O)(=O)N(C)CCO)c(C)s2)cc1.
What is the InChIKey of 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?
The InChIKey is DHXZFYOYWJZYPK-RUZDIDTESA-N. The full InChI is InChI=1S/C27H33FN4O7S2/c1-18-24(26(35)30-41(37,38)31(2)14-15-33)29-23(40-18)17-32(13-5-7-19-6-4-8-21(28)16-19)27(36)25(34)20-9-11-22(39-3)12-10-20/h4,6,8-12,16,25,33-34H,5,7,13-15,17H2,1-3H3,(H,30,35)/t25-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 608.71 g/mol, XLogP of 2.19, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70349244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).