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

C18H17N3O4S2 — CID 25405414

IUPAC2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)c1
InChIInChI=1S/C18H17N3O4S2/c1-25-14-7-5-6-13(10-14)11-19-17(22)16-12-26-18(20-16)21-27(23,24)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyAAKRSQLTMMEXMC-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.88
Rot. Bonds7

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

2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 25405414) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID25405414
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Name2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)c1
InChIInChI=1S/C18H17N3O4S2/c1-25-14-7-5-6-13(10-14)11-19-17(22)16-12-26-18(20-16)21-27(23,24)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyAAKRSQLTMMEXMC-UHFFFAOYSA-N
XLogP2.88
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 25405414) is 2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1cccc(CNC(=O)c2csc(NS(=O)(=O)c3ccccc3)n2)c1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AAKRSQLTMMEXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-25-14-7-5-6-13(10-14)11-19-17(22)16-12-26-18(20-16)21-27(23,24)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).