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

C19H19N3O4S2 — CID 25405415

IUPAC2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)c1
InChIInChI=1S/C19H19N3O4S2/c1-26-15-7-5-6-14(12-15)10-11-20-18(23)17-13-27-19(21-17)22-28(24,25)16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyPHGUIJWDDCEBPU-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.92
Rot. Bonds8

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

2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 25405415) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID25405415
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)c1
InChIInChI=1S/C19H19N3O4S2/c1-26-15-7-5-6-14(12-15)10-11-20-18(23)17-13-27-19(21-17)22-28(24,25)16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyPHGUIJWDDCEBPU-UHFFFAOYSA-N
XLogP2.92
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 25405415) is 2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is COc1cccc(CCNC(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)c1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PHGUIJWDDCEBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-26-15-7-5-6-14(12-15)10-11-20-18(23)17-13-27-19(21-17)22-28(24,25)16-8-3-2-4-9-16/h2-9,12-13H,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).