N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide

C20H20N4O5S2 — CID 16945056

IUPACN-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)Nc3cccc(NC(C)=O)c3)s2)cc1
InChIInChI=1S/C20H20N4O5S2/c1-12-18(19(26)23-15-6-4-5-14(11-15)22-13(2)25)30-20(21-12)24-31(27,28)17-9-7-16(29-3)8-10-17/h4-11H,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyGUEKDAZXXYZJEE-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.47
Rot. Bonds7

About N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide

N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16945056) has the molecular formula C20H20N4O5S2 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16945056
Molecular FormulaC20H20N4O5S2
Molecular Weight460.54 g/mol
Exact Mass460.09
IUPAC NameN-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)Nc3cccc(NC(C)=O)c3)s2)cc1
InChIInChI=1S/C20H20N4O5S2/c1-12-18(19(26)23-15-6-4-5-14(11-15)22-13(2)25)30-20(21-12)24-31(27,28)17-9-7-16(29-3)8-10-17/h4-11H,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyGUEKDAZXXYZJEE-UHFFFAOYSA-N
XLogP3.47
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxy-3-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945038
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944982
2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944693
2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 16944408
2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16828747
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944431
N-cyclohexyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944952
N-cycloheptyl-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944956
N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944585
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944961

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 16945056) is N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)Nc3cccc(NC(C)=O)c3)s2)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GUEKDAZXXYZJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S2/c1-12-18(19(26)23-15-6-4-5-14(11-15)22-13(2)25)30-20(21-12)24-31(27,28)17-9-7-16(29-3)8-10-17/h4-11H,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16945056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).