2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide

C18H17N3O3S2 — CID 16944374

IUPAC2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H17N3O3S2/c1-13-16(17(22)19-12-14-8-4-2-5-9-14)25-18(20-13)21-26(23,24)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyQDBPXDMRKXZIHD-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.18
Rot. Bonds6

About 2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide

2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16944374) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16944374
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C18H17N3O3S2/c1-13-16(17(22)19-12-14-8-4-2-5-9-14)25-18(20-13)21-26(23,24)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyQDBPXDMRKXZIHD-UHFFFAOYSA-N
XLogP3.18
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide (CID 16944374) is 2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QDBPXDMRKXZIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-13-16(17(22)19-12-14-8-4-2-5-9-14)25-18(20-13)21-26(23,24)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).