4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C18H17N3O3S2 — CID 35983360

IUPAC4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)sc2c1
InChIInChI=1S/C18H17N3O3S2/c1-11-2-9-15-16(10-11)25-18(19-15)20-17(22)12-3-7-14(8-4-12)26(23,24)21-13-5-6-13/h2-4,7-10,13,21H,5-6H2,1H3,(H,19,20,22)
InChIKeyYSWITGRSQCANQL-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.30
Rot. Bonds5

About 4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 35983360) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID35983360
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Name4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)sc2c1
InChIInChI=1S/C18H17N3O3S2/c1-11-2-9-15-16(10-11)25-18(19-15)20-17(22)12-3-7-14(8-4-12)26(23,24)21-13-5-6-13/h2-4,7-10,13,21H,5-6H2,1H3,(H,19,20,22)
InChIKeyYSWITGRSQCANQL-UHFFFAOYSA-N
XLogP3.30
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 35998693
4-(azepan-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701476
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 5182181
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947613
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 3590382
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(propan-2-ylsulfamoyl)benzamide
CID 35983333
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methylphenyl)iodanium bromide
CID 87394550
4-(cyclopropylsulfamoyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41189388
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 35983360) is 4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)sc2c1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is YSWITGRSQCANQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-11-2-9-15-16(10-11)25-18(19-15)20-17(22)12-3-7-14(8-4-12)26(23,24)21-13-5-6-13/h2-4,7-10,13,21H,5-6H2,1H3,(H,19,20,22).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 387.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 35983360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).