4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C22H18N4O4S2 — CID 16759187

IUPAC4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1
InChIInChI=1S/C22H18N4O4S2/c1-30-17-9-11-18(12-10-17)32(28,29)26-16-7-5-15(6-8-16)21(27)25-22-24-20(14-31-22)19-4-2-3-13-23-19/h2-14,26H,1H3,(H,24,25,27)
InChIKeyVMXUXGZPTYFWAS-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.27
Rot. Bonds7

About 4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 16759187) has the molecular formula C22H18N4O4S2 and a molecular weight of 466.54 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID16759187
Molecular FormulaC22H18N4O4S2
Molecular Weight466.54 g/mol
Exact Mass466.08
IUPAC Name4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1
InChIInChI=1S/C22H18N4O4S2/c1-30-17-9-11-18(12-10-17)32(28,29)26-16-7-5-15(6-8-16)21(27)25-22-24-20(14-31-22)19-4-2-3-13-23-19/h2-14,26H,1H3,(H,24,25,27)
InChIKeyVMXUXGZPTYFWAS-UHFFFAOYSA-N
XLogP4.27
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 16759187) is 4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VMXUXGZPTYFWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4S2/c1-30-17-9-11-18(12-10-17)32(28,29)26-16-7-5-15(6-8-16)21(27)25-22-24-20(14-31-22)19-4-2-3-13-23-19/h2-14,26H,1H3,(H,24,25,27).
What are the key properties of 4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 466.54 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 16759187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).