N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide

C18H24N2O2S — CID 4079995

IUPACN-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
SMILESCC1CCCCC1NC(=O)C(C)C1Sc2ccccc2NC1=O
InChIInChI=1S/C18H24N2O2S/c1-11-7-3-4-8-13(11)19-17(21)12(2)16-18(22)20-14-9-5-6-10-15(14)23-16/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyMNZGYBCWMKPWJM-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.43
Rot. Bonds3

About N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide

N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide (PubChem CID 4079995) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
PubChem CID4079995
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
SMILESCC1CCCCC1NC(=O)C(C)C1Sc2ccccc2NC1=O
InChIInChI=1S/C18H24N2O2S/c1-11-7-3-4-8-13(11)19-17(21)12(2)16-18(22)20-14-9-5-6-10-15(14)23-16/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyMNZGYBCWMKPWJM-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 7608091
N-[(1R,2R)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7329319
N-[(1R,2S)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 7329320
N-(2-methoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164538
N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164531
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164529
ethyl 2-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 69004783
1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiourea
CID 11946392
N-(2-methylcyclohexyl)-2-(propan-2-ylamino)benzamide
CID 63107606
N-[(1R,2S)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 7481050
N-[(2S)-4-methyl-1-[[(1S)-2-methylcyclopentyl]amino]-1-oxopentan-2-yl]-10,10a-dihydro-4aH-phenothiazine-2-carboxamide
CID 59258479

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide (CID 4079995) is N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide is CC1CCCCC1NC(=O)C(C)C1Sc2ccccc2NC1=O.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The InChIKey is MNZGYBCWMKPWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-11-7-3-4-8-13(11)19-17(21)12(2)16-18(22)20-14-9-5-6-10-15(14)23-16/h5-6,9-13,16H,3-4,7-8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide has a molecular weight of 332.47 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide is sourced from PubChem (CID 4079995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).