N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide

C18H22N2O2S — CID 4105324

IUPACN-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide
SMILESC=CCN1C(=O)CSc2ccc(C(=O)NC3CCCCC3)cc21
InChIInChI=1S/C18H22N2O2S/c1-2-10-20-15-11-13(8-9-16(15)23-12-17(20)21)18(22)19-14-6-4-3-5-7-14/h2,8-9,11,14H,1,3-7,10,12H2,(H,19,22)
InChIKeyUWGOAVSAVMBGMN-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.37
Rot. Bonds4

About N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide

N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide (PubChem CID 4105324) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide
PubChem CID4105324
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide
SMILESC=CCN1C(=O)CSc2ccc(C(=O)NC3CCCCC3)cc21
InChIInChI=1S/C18H22N2O2S/c1-2-10-20-15-11-13(8-9-16(15)23-12-17(20)21)18(22)19-14-6-4-3-5-7-14/h2,8-9,11,14H,1,3-7,10,12H2,(H,19,22)
InChIKeyUWGOAVSAVMBGMN-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide (CID 4105324) is N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide is C=CCN1C(=O)CSc2ccc(C(=O)NC3CCCCC3)cc21.
What is the InChIKey of N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide?
The InChIKey is UWGOAVSAVMBGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-2-10-20-15-11-13(8-9-16(15)23-12-17(20)21)18(22)19-14-6-4-3-5-7-14/h2,8-9,11,14H,1,3-7,10,12H2,(H,19,22).
What are the key properties of N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide?
N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-oxo-4-prop-2-enyl-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 4105324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).