2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide

C19H19N3O4S2 — CID 55407765

IUPAC2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)cs2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-12(14-4-3-5-16(10-14)28(20,24)25)21-18(23)17-11-27-19(22-17)13-6-8-15(26-2)9-7-13/h3-12H,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyRAMDHBLFALZMHG-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.96
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 55407765) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID55407765
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)cs2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-12(14-4-3-5-16(10-14)28(20,24)25)21-18(23)17-11-27-19(22-17)13-6-8-15(26-2)9-7-13/h3-12H,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyRAMDHBLFALZMHG-UHFFFAOYSA-N
XLogP2.96
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 45355568
2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 51256063
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 18230190
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 55937335
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 122159478
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-4-carboxamide
CID 51647272
5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 51213515
2-(3-methoxy-4-methylphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 17483575
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666
2-(3,4-dimethoxyphenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 24502013
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 55407765) is 2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC(C)c3cccc(S(N)(=O)=O)c3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RAMDHBLFALZMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-12(14-4-3-5-16(10-14)28(20,24)25)21-18(23)17-11-27-19(22-17)13-6-8-15(26-2)9-7-13/h3-12H,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55407765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).