2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide

C24H23N3O4S2 — CID 53095095

IUPAC2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide
SMILESCCCN1C(=O)c2ccccc2Sc2cc(NC(=O)CNS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C24H23N3O4S2/c1-2-14-27-20-13-12-17(15-22(20)32-21-11-7-6-10-19(21)24(27)29)26-23(28)16-25-33(30,31)18-8-4-3-5-9-18/h3-13,15,25H,2,14,16H2,1H3,(H,26,28)
InChIKeyRMXOECPUHIYRAC-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.12
Rot. Bonds7

About 2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide

2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide (PubChem CID 53095095) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide
PubChem CID53095095
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC Name2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide
SMILESCCCN1C(=O)c2ccccc2Sc2cc(NC(=O)CNS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C24H23N3O4S2/c1-2-14-27-20-13-12-17(15-22(20)32-21-11-7-6-10-19(21)24(27)29)26-23(28)16-25-33(30,31)18-8-4-3-5-9-18/h3-13,15,25H,2,14,16H2,1H3,(H,26,28)
InChIKeyRMXOECPUHIYRAC-UHFFFAOYSA-N
XLogP4.12
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide (CID 53095095) is 2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide is CCCN1C(=O)c2ccccc2Sc2cc(NC(=O)CNS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of 2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide?
The InChIKey is RMXOECPUHIYRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-2-14-27-20-13-12-17(15-22(20)32-21-11-7-6-10-19(21)24(27)29)26-23(28)16-25-33(30,31)18-8-4-3-5-9-18/h3-13,15,25H,2,14,16H2,1H3,(H,26,28).
What are the key properties of 2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide?
2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide has a molecular weight of 481.60 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-2-yl)acetamide is sourced from PubChem (CID 53095095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).