4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

C30H27N3O3S2 — CID 18558934

IUPAC4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1
InChIInChI=1S/C30H27N3O3S2/c1-3-33(20-22-7-5-4-6-8-22)38(35,36)26-16-12-23(13-17-26)29(34)31-25-14-10-24(11-15-25)30-32-27-18-9-21(2)19-28(27)37-30/h4-19H,3,20H2,1-2H3,(H,31,34)
InChIKeyKUYBFTAEJZDTHG-UHFFFAOYSA-N
MW541.70 g/mol
LogP6.73
Rot. Bonds8

About 4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (PubChem CID 18558934) has the molecular formula C30H27N3O3S2 and a molecular weight of 541.70 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
PubChem CID18558934
Molecular FormulaC30H27N3O3S2
Molecular Weight541.70 g/mol
Exact Mass541.15
IUPAC Name4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1
InChIInChI=1S/C30H27N3O3S2/c1-3-33(20-22-7-5-4-6-8-22)38(35,36)26-16-12-23(13-17-26)29(34)31-25-14-10-24(11-15-25)30-32-27-18-9-21(2)19-28(27)37-30/h4-19H,3,20H2,1-2H3,(H,31,34)
InChIKeyKUYBFTAEJZDTHG-UHFFFAOYSA-N
XLogP6.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.70
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzyl(ethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4583357
4-(butanoylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 2952764
4-amino-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 58341983
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404
4-(tert-butylsulfonylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 20630338
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-propan-2-ylsulfonylbenzamide
CID 26844623
N'-benzyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-N'-propan-2-yloxamide
CID 108503570
4-[benzyl(ethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41007497
4-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43963438
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100049
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-[benzyl(ethyl)sulfamoyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 41235460

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (CID 18558934) is 4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1.
What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The InChIKey is KUYBFTAEJZDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3S2/c1-3-33(20-22-7-5-4-6-8-22)38(35,36)26-16-12-23(13-17-26)29(34)31-25-14-10-24(11-15-25)30-32-27-18-9-21(2)19-28(27)37-30/h4-19H,3,20H2,1-2H3,(H,31,34).
What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide has a molecular weight of 541.70 g/mol, XLogP of 6.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)sulfamoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 18558934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).