N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide

C23H21N3O3S2 — CID 3339715

IUPACN-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide
SMILESCNS(=O)(=O)c1ccc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2c1
InChIInChI=1S/C23H21N3O3S2/c1-24-31(28,29)18-12-13-20-21(14-18)30-23(25-20)26-22(27)15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19,24H,15H2,1H3,(H,25,26,27)
InChIKeyGRMXJUMMSUHQFF-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.37
Rot. Bonds7

About N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide

N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide (PubChem CID 3339715) has the molecular formula C23H21N3O3S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide
PubChem CID3339715
Molecular FormulaC23H21N3O3S2
Molecular Weight451.57 g/mol
Exact Mass451.10
IUPAC NameN-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide
SMILESCNS(=O)(=O)c1ccc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2c1
InChIInChI=1S/C23H21N3O3S2/c1-24-31(28,29)18-12-13-20-21(14-18)30-23(25-20)26-22(27)15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19,24H,15H2,1H3,(H,25,26,27)
InChIKeyGRMXJUMMSUHQFF-UHFFFAOYSA-N
XLogP4.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 4080204
(3R)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1164537
3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 43989546
2-(1,3-dioxoisoindol-2-yl)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]propanamide
CID 3508106
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 734500
N-[6-[di(propan-2-yl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,2-diphenylacetamide
CID 4102491
2-chloro-N-[[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 57422784
2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5082587
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2349260
3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3464222
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 1273299

Frequently Asked Questions

What is the IUPAC name of N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide (CID 3339715) is N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide is CNS(=O)(=O)c1ccc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2c1.
What is the InChIKey of N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide?
The InChIKey is GRMXJUMMSUHQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S2/c1-24-31(28,29)18-12-13-20-21(14-18)30-23(25-20)26-22(27)15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19,24H,15H2,1H3,(H,25,26,27).
What are the key properties of N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide?
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide has a molecular weight of 451.57 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 3339715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).