N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide

C23H21N3O3S2 — CID 35613501

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1
InChIInChI=1S/C23H21N3O3S2/c1-3-24-31(28,29)18-12-11-15(2)19(14-18)22(27)25-17-8-6-7-16(13-17)23-26-20-9-4-5-10-21(20)30-23/h4-14,24H,3H2,1-2H3,(H,25,27)
InChIKeyAWDOVBVHUVAPGJ-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.82
Rot. Bonds6

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 35613501) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID35613501
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1
InChIInChI=1S/C23H21N3O3S2/c1-3-24-31(28,29)18-12-11-15(2)19(14-18)22(27)25-17-8-6-7-16(13-17)23-26-20-9-4-5-10-21(20)30-23/h4-14,24H,3H2,1-2H3,(H,25,27)
InChIKeyAWDOVBVHUVAPGJ-UHFFFAOYSA-N
XLogP4.82
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 34313277
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 46527381
5-(ethylsulfamoyl)-2-methyl-N-(3-nitrophenyl)benzamide
CID 26561827
5-(ethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167610
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butylbenzamide
CID 2303166
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-methylsulfonyl-2-[3-(trifluoromethyl)phenyl]benzamide
CID 50913568
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 51135182
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 34289405
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
5-[[4-(1,3-benzothiazol-2-yl)phenyl]sulfamoyl]-2-ethylbenzoic acid
CID 58937065
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 5016157
4-(azepan-1-ylsulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 5008940

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide (CID 35613501) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is AWDOVBVHUVAPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c1-3-24-31(28,29)18-12-11-15(2)19(14-18)22(27)25-17-8-6-7-16(13-17)23-26-20-9-4-5-10-21(20)30-23/h4-14,24H,3H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 451.57 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 35613501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).