2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide

C17H16N2O2S — CID 4145824

IUPAC2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
SMILESNC(=O)CN1C(=O)CC(c2ccccc2)Sc2ccccc21
InChIInChI=1S/C17H16N2O2S/c18-16(20)11-19-13-8-4-5-9-14(13)22-15(10-17(19)21)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,18,20)
InChIKeyBIDBOHKVBCSAHN-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.74
Rot. Bonds3

About 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide

2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide (PubChem CID 4145824) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
PubChem CID4145824
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
SMILESNC(=O)CN1C(=O)CC(c2ccccc2)Sc2ccccc21
InChIInChI=1S/C17H16N2O2S/c18-16(20)11-19-13-8-4-5-9-14(13)22-15(10-17(19)21)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,18,20)
InChIKeyBIDBOHKVBCSAHN-UHFFFAOYSA-N
XLogP2.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide?
The IUPAC name of 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide (CID 4145824) is 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide?
The canonical SMILES for 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide is NC(=O)CN1C(=O)CC(c2ccccc2)Sc2ccccc21.
What is the InChIKey of 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide?
The InChIKey is BIDBOHKVBCSAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c18-16(20)11-19-13-8-4-5-9-14(13)22-15(10-17(19)21)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,18,20).
What are the key properties of 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide?
2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide is sourced from PubChem (CID 4145824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).