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

C24H21N3O4S2 — CID 4162891

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H21N3O4S2/c1-16-7-13-19(14-8-16)33(29,30)27-21-6-4-3-5-20(21)23(28)26-24-25-22(15-32-24)17-9-11-18(31-2)12-10-17/h3-15,27H,1-2H3,(H,25,26,28)
InChIKeyVJHUYDLSNDDSJO-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.18
Rot. Bonds7

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 4162891) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID4162891
Molecular FormulaC24H21N3O4S2
Molecular Weight479.58 g/mol
Exact Mass479.10
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C24H21N3O4S2/c1-16-7-13-19(14-8-16)33(29,30)27-21-6-4-3-5-20(21)23(28)26-24-25-22(15-32-24)17-9-11-18(31-2)12-10-17/h3-15,27H,1-2H3,(H,25,26,28)
InChIKeyVJHUYDLSNDDSJO-UHFFFAOYSA-N
XLogP5.18
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 4162891) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide is COc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is VJHUYDLSNDDSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c1-16-7-13-19(14-8-16)33(29,30)27-21-6-4-3-5-20(21)23(28)26-24-25-22(15-32-24)17-9-11-18(31-2)12-10-17/h3-15,27H,1-2H3,(H,25,26,28).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 479.58 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 4162891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).