4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide

C20H21N3O3S2 — CID 41364346

IUPAC4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)sc2cc1C
InChIInChI=1S/C20H21N3O3S2/c1-12-10-17-18(11-13(12)2)27-20(21-17)22-19(24)14-4-8-16(9-5-14)28(25,26)23(3)15-6-7-15/h4-5,8-11,15H,6-7H2,1-3H3,(H,21,22,24)
InChIKeyJYEIEOCVTFIFTJ-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.95
Rot. Bonds5

About 4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide

4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41364346) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID41364346
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)sc2cc1C
InChIInChI=1S/C20H21N3O3S2/c1-12-10-17-18(11-13(12)2)27-20(21-17)22-19(24)14-4-8-16(9-5-14)28(25,26)23(3)15-6-7-15/h4-5,8-11,15H,6-7H2,1-3H3,(H,21,22,24)
InChIKeyJYEIEOCVTFIFTJ-UHFFFAOYSA-N
XLogP3.95
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopentyl(methyl)sulfamoyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 18584056
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43947275
4-[cyclopentyl(methyl)sulfamoyl]-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CID 43947317
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993377
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 22581327
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 27486484
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16823108
N-(4-chloro-1,3-benzothiazol-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 16831189
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 18560940
4-[cyclopropyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)benzamide
CID 41364081
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 43947389

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 41364346) is 4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1cc2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)sc2cc1C.
What is the InChIKey of 4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is JYEIEOCVTFIFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-12-10-17-18(11-13(12)2)27-20(21-17)22-19(24)14-4-8-16(9-5-14)28(25,26)23(3)15-6-7-15/h4-5,8-11,15H,6-7H2,1-3H3,(H,21,22,24).
What are the key properties of 4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 415.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41364346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).