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

C25H31N3O4S2 — CID 2473350

IUPAC4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1
InChIInChI=1S/C25H31N3O4S2/c1-5-8-17-28(6-2)34(30,31)22-15-11-20(12-16-22)24(29)27-25-26-23(18(4)33-25)19-9-13-21(14-10-19)32-7-3/h9-16H,5-8,17H2,1-4H3,(H,26,27,29)
InChIKeyPHYPIPBRLJHSLX-UHFFFAOYSA-N
MW501.67 g/mol
LogP5.58
Rot. Bonds11

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

4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 2473350) has the molecular formula C25H31N3O4S2 and a molecular weight of 501.67 g/mol. Its IUPAC name is 4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID2473350
Molecular FormulaC25H31N3O4S2
Molecular Weight501.67 g/mol
Exact Mass501.18
IUPAC Name4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1
InChIInChI=1S/C25H31N3O4S2/c1-5-8-17-28(6-2)34(30,31)22-15-11-20(12-16-22)24(29)27-25-26-23(18(4)33-25)19-9-13-21(14-10-19)32-7-3/h9-16H,5-8,17H2,1-4H3,(H,26,27,29)
InChIKeyPHYPIPBRLJHSLX-UHFFFAOYSA-N
XLogP5.58
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dibutylsulfamoyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3598751
4-[butyl(methyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 4619100
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993148
ethyl 2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3263875
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337
4-[methoxy(methyl)sulfamoyl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 35538236
4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4098935
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 17433529
4-[butyl(methyl)sulfamoyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 4673627
ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 5079660
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4058144

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (CID 2473350) is 4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1.
What is the InChIKey of 4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is PHYPIPBRLJHSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S2/c1-5-8-17-28(6-2)34(30,31)22-15-11-20(12-16-22)24(29)27-25-26-23(18(4)33-25)19-9-13-21(14-10-19)32-7-3/h9-16H,5-8,17H2,1-4H3,(H,26,27,29).
What are the key properties of 4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 501.67 g/mol, XLogP of 5.58, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2473350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).