N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C23H27N3O4S2 — CID 44993148

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCCOc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)sc2C)cc1
InChIInChI=1S/C23H27N3O4S2/c1-6-30-19-11-7-17(8-12-19)21-16(4)31-23(24-21)25-22(27)18-9-13-20(14-10-18)32(28,29)26(5)15(2)3/h7-15H,6H2,1-5H3,(H,24,25,27)
InChIKeyTVVPFQXNKVNALW-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.80
Rot. Bonds8

About N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 44993148) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID44993148
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCCOc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)sc2C)cc1
InChIInChI=1S/C23H27N3O4S2/c1-6-30-19-11-7-17(8-12-19)21-16(4)31-23(24-21)25-22(27)18-9-13-20(14-10-18)32(28,29)26(5)15(2)3/h7-15H,6H2,1-5H3,(H,24,25,27)
InChIKeyTVVPFQXNKVNALW-UHFFFAOYSA-N
XLogP4.80
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 4619100
4-(dibutylsulfamoyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3598751
4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2473350
4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 35538236
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26291645
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 17433529
N-[1-(4-ethoxyphenyl)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55490961
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 8610429
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
2-(benzenesulfonyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 7254450

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 44993148) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CCOc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)sc2C)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is TVVPFQXNKVNALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-6-30-19-11-7-17(8-12-19)21-16(4)31-23(24-21)25-22(27)18-9-13-20(14-10-18)32(28,29)26(5)15(2)3/h7-15H,6H2,1-5H3,(H,24,25,27).
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 473.62 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 44993148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).