2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide

C24H23N3O4S2 — CID 100740976

IUPAC2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1
InChIInChI=1S/C24H23N3O4S2/c1-16(2)25-23(28)19-10-6-7-11-20(19)26-33(30,31)18-12-13-21-22(14-18)32-24(29)27(21)15-17-8-4-3-5-9-17/h3-14,16,26H,15H2,1-2H3,(H,25,28)
InChIKeyIWPDMPIGXNEANR-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.05
Rot. Bonds7

About 2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide

2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide (PubChem CID 100740976) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide
PubChem CID100740976
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC Name2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1
InChIInChI=1S/C24H23N3O4S2/c1-16(2)25-23(28)19-10-6-7-11-20(19)26-33(30,31)18-12-13-21-22(14-18)32-24(29)27(21)15-17-8-4-3-5-9-17/h3-14,16,26H,15H2,1-2H3,(H,25,28)
InChIKeyIWPDMPIGXNEANR-UHFFFAOYSA-N
XLogP4.05
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzothiazol-6-yl]sulfonylamino]-N-propan-2-ylbenzamide
CID 100754854
N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 100741003
2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 100742448
N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 133207617
3-benzyl-N-(2,3-dimethylphenyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100740079
3-[(4-chlorophenyl)methyl]-2-oxo-N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 100751485
2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 100735863
2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 100724442
ethyl 4-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-3-methylbenzoate
CID 100741821
3-benzyl-2-oxo-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-sulfonamide
CID 100739614
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100739899
3-benzyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100536922

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide (CID 100740976) is 2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1.
What is the InChIKey of 2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide?
The InChIKey is IWPDMPIGXNEANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-16(2)25-23(28)19-10-6-7-11-20(19)26-33(30,31)18-12-13-21-22(14-18)32-24(29)27(21)15-17-8-4-3-5-9-17/h3-14,16,26H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide?
2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide has a molecular weight of 481.60 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 100740976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).