N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide

C24H28N2O2S — CID 4168928

IUPACN-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NC4CCCCC4)cc32)c1
InChIInChI=1S/C24H28N2O2S/c1-16-8-9-17(2)19(12-16)14-26-21-13-18(10-11-22(21)29-15-23(26)27)24(28)25-20-6-4-3-5-7-20/h8-13,20H,3-7,14-15H2,1-2H3,(H,25,28)
InChIKeyJXNBVRMZXUONCH-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.00
Rot. Bonds4

About N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide

N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide (PubChem CID 4168928) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
PubChem CID4168928
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC NameN-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
SMILESCc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NC4CCCCC4)cc32)c1
InChIInChI=1S/C24H28N2O2S/c1-16-8-9-17(2)19(12-16)14-26-21-13-18(10-11-22(21)29-15-23(26)27)24(28)25-20-6-4-3-5-7-20/h8-13,20H,3-7,14-15H2,1-2H3,(H,25,28)
InChIKeyJXNBVRMZXUONCH-UHFFFAOYSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5064081
N-cyclooctyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4156781
4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4090601
2-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl-diethylazanium
CID 2052753
N-cyclopropyl-4-[(2-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 22421974
4-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5077617
N-(cyclohexylmethyl)-4-[(2,3-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 146579257
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 92653977
N-cyclopentyl-5-[(2-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 3251612
dimethyl-[2-[[4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl]azanium
CID 3584464
4-[2-(cyclooctylamino)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50777316
N-cyclooctyl-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023877

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide (CID 4168928) is N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide is Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NC4CCCCC4)cc32)c1.
What is the InChIKey of N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
The InChIKey is JXNBVRMZXUONCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-16-8-9-17(2)19(12-16)14-26-21-13-18(10-11-22(21)29-15-23(26)27)24(28)25-20-6-4-3-5-7-20/h8-13,20H,3-7,14-15H2,1-2H3,(H,25,28).
What are the key properties of N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide?
N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2,5-dimethylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 4168928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).