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

C28H23N3O4S2 — CID 100741003

IUPACN-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1
InChIInChI=1S/C28H23N3O4S2/c32-27(29-18-20-9-3-1-4-10-20)23-13-7-8-14-24(23)30-37(34,35)22-15-16-25-26(17-22)36-28(33)31(25)19-21-11-5-2-6-12-21/h1-17,30H,18-19H2,(H,29,32)
InChIKeyPUKKCIJTPOFNEV-UHFFFAOYSA-N
MW529.64 g/mol
LogP4.84
Rot. Bonds8

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

N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide (PubChem CID 100741003) has the molecular formula C28H23N3O4S2 and a molecular weight of 529.64 g/mol. Its IUPAC name is N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
PubChem CID100741003
Molecular FormulaC28H23N3O4S2
Molecular Weight529.64 g/mol
Exact Mass529.11
IUPAC NameN-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1
InChIInChI=1S/C28H23N3O4S2/c32-27(29-18-20-9-3-1-4-10-20)23-13-7-8-14-24(23)30-37(34,35)22-15-16-25-26(17-22)36-28(33)31(25)19-21-11-5-2-6-12-21/h1-17,30H,18-19H2,(H,29,32)
InChIKeyPUKKCIJTPOFNEV-UHFFFAOYSA-N
XLogP4.84
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 100742448
2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-propan-2-ylbenzamide
CID 100740976
2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 100735863
3-benzyl-N-(2,3-dimethylphenyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100740079
2-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 100724442
2-[[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzothiazol-6-yl]sulfonylamino]-N-propan-2-ylbenzamide
CID 100754854
2-[[3-[(2-chlorophenyl)methyl]-2-oxo-1,3-benzothiazol-6-yl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 100755954
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
3-benzyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100536922
ethyl 4-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]-3-methylbenzoate
CID 100741821
N-butyl-2-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 100719107
N-butan-2-yl-2-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 133207617

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide?
The IUPAC name of N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide (CID 100741003) is N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide?
The canonical SMILES for N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide is O=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide?
The InChIKey is PUKKCIJTPOFNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4S2/c32-27(29-18-20-9-3-1-4-10-20)23-13-7-8-14-24(23)30-37(34,35)22-15-16-25-26(17-22)36-28(33)31(25)19-21-11-5-2-6-12-21/h1-17,30H,18-19H2,(H,29,32).
What are the key properties of N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide?
N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide has a molecular weight of 529.64 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-benzyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide is sourced from PubChem (CID 100741003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).