2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

C18H17N3O3S2 — CID 25405333

IUPAC2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H17N3O3S2/c22-17(19-12-11-14-7-3-1-4-8-14)16-13-25-18(20-16)21-26(23,24)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,22)(H,20,21)
InChIKeyCZVZCDLAFUGVKO-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.92
Rot. Bonds7

About 2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide

2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 25405333) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID25405333
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H17N3O3S2/c22-17(19-12-11-14-7-3-1-4-8-14)16-13-25-18(20-16)21-26(23,24)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,22)(H,20,21)
InChIKeyCZVZCDLAFUGVKO-UHFFFAOYSA-N
XLogP2.92
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 25405333) is 2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is O=C(NCCc1ccccc1)c1csc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CZVZCDLAFUGVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c22-17(19-12-11-14-7-3-1-4-8-14)16-13-25-18(20-16)21-26(23,24)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,19,22)(H,20,21).
What are the key properties of 2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).