N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide

C19H21N3O3S2 — CID 9101706

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3ncsc3c2)ccc1C
InChIInChI=1S/C19H21N3O3S2/c1-4-22(5-2)27(24,25)18-11-15(8-6-13(18)3)21-19(23)14-7-9-16-17(10-14)26-12-20-16/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeySOQFDUDTWAQTPA-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.89
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 9101706) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide
PubChem CID9101706
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3ncsc3c2)ccc1C
InChIInChI=1S/C19H21N3O3S2/c1-4-22(5-2)27(24,25)18-11-15(8-6-13(18)3)21-19(23)14-7-9-16-17(10-14)26-12-20-16/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeySOQFDUDTWAQTPA-UHFFFAOYSA-N
XLogP3.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 18205717
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 26759503
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 30880575
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(difluoromethoxy)benzamide
CID 26521263
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide (CID 9101706) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc3ncsc3c2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is SOQFDUDTWAQTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-4-22(5-2)27(24,25)18-11-15(8-6-13(18)3)21-19(23)14-7-9-16-17(10-14)26-12-20-16/h6-12H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 9101706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).