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

C17H22N2O2S — CID 20878066

IUPACN-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
SMILESO=C(CN1C(=O)CCSc2ccccc21)NC1CCCCC1
InChIInChI=1S/C17H22N2O2S/c20-16(18-13-6-2-1-3-7-13)12-19-14-8-4-5-9-15(14)22-11-10-17(19)21/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,18,20)
InChIKeyQWYZBZPWWMNNMS-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.96
Rot. Bonds3

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

N-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide (PubChem CID 20878066) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
PubChem CID20878066
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
SMILESO=C(CN1C(=O)CCSc2ccccc21)NC1CCCCC1
InChIInChI=1S/C17H22N2O2S/c20-16(18-13-6-2-1-3-7-13)12-19-14-8-4-5-9-15(14)22-11-10-17(19)21/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,18,20)
InChIKeyQWYZBZPWWMNNMS-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide (CID 20878066) is N-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide is O=C(CN1C(=O)CCSc2ccccc21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide?
The InChIKey is QWYZBZPWWMNNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c20-16(18-13-6-2-1-3-7-13)12-19-14-8-4-5-9-15(14)22-11-10-17(19)21/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,18,20).
What are the key properties of N-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide?
N-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide has a molecular weight of 318.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide is sourced from PubChem (CID 20878066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).