4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C21H23N3O4S2 — CID 4948208

IUPAC4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C21H23N3O4S2/c1-15(2)11-13-28-18-7-3-16(4-8-18)20(25)23-17-5-9-19(10-6-17)30(26,27)24-21-22-12-14-29-21/h3-10,12,14-15H,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHVHODGYELYJSOP-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.62
Rot. Bonds9

About 4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 4948208) has the molecular formula C21H23N3O4S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID4948208
Molecular FormulaC21H23N3O4S2
Molecular Weight445.57 g/mol
Exact Mass445.11
IUPAC Name4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C21H23N3O4S2/c1-15(2)11-13-28-18-7-3-16(4-8-18)20(25)23-17-5-9-19(10-6-17)30(26,27)24-21-22-12-14-29-21/h3-10,12,14-15H,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHVHODGYELYJSOP-UHFFFAOYSA-N
XLogP4.62
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylbutoxy)-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4949071
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2161674
4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2246052
2-(4-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1015546
2-(4-ethoxyphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53267177
N-[4-(benzylsulfamoyl)phenyl]-4-(3-methylbutoxy)benzamide
CID 4948284
5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17119868
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
5-[(4-acetylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19455196
ethane;4-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 90981855
1-(4-ethoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25043569
4-(4-methoxyphenyl)-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 108796477

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 4948208) is 4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is CC(C)CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is HVHODGYELYJSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S2/c1-15(2)11-13-28-18-7-3-16(4-8-18)20(25)23-17-5-9-19(10-6-17)30(26,27)24-21-22-12-14-29-21/h3-10,12,14-15H,11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 445.57 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4948208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).