4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide

C23H19N3O3S2 — CID 70789384

IUPAC4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ncc(-c4ccccc4)s3)cc2)cc1
InChIInChI=1S/C23H19N3O3S2/c1-16-7-13-20(14-8-16)31(28,29)26-19-11-9-18(10-12-19)22(27)25-23-24-15-21(30-23)17-5-3-2-4-6-17/h2-15,26H,1H3,(H,24,25,27)
InChIKeyZSNIENNPKLZXGA-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.17
Rot. Bonds6

About 4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide

4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 70789384) has the molecular formula C23H19N3O3S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID70789384
Molecular FormulaC23H19N3O3S2
Molecular Weight449.56 g/mol
Exact Mass449.09
IUPAC Name4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ncc(-c4ccccc4)s3)cc2)cc1
InChIInChI=1S/C23H19N3O3S2/c1-16-7-13-20(14-8-16)31(28,29)26-19-11-9-18(10-12-19)22(27)25-23-24-15-21(30-23)17-5-3-2-4-6-17/h2-15,26H,1H3,(H,24,25,27)
InChIKeyZSNIENNPKLZXGA-UHFFFAOYSA-N
XLogP5.17
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide (CID 70789384) is 4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ncc(-c4ccccc4)s3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZSNIENNPKLZXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S2/c1-16-7-13-20(14-8-16)31(28,29)26-19-11-9-18(10-12-19)22(27)25-23-24-15-21(30-23)17-5-3-2-4-6-17/h2-15,26H,1H3,(H,24,25,27).
What are the key properties of 4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide?
4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 449.56 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 70789384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).