N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide

C20H22N2O2S — CID 19164529

IUPACN-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
SMILESCCc1cccc(C)c1NC(=O)C(C)C1Sc2ccccc2NC1=O
InChIInChI=1S/C20H22N2O2S/c1-4-14-9-7-8-12(2)17(14)22-19(23)13(3)18-20(24)21-15-10-5-6-11-16(15)25-18/h5-11,13,18H,4H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyCUMCNUWPEHSQAP-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.25
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide

N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide (PubChem CID 19164529) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
PubChem CID19164529
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
SMILESCCc1cccc(C)c1NC(=O)C(C)C1Sc2ccccc2NC1=O
InChIInChI=1S/C20H22N2O2S/c1-4-14-9-7-8-12(2)17(14)22-19(23)13(3)18-20(24)21-15-10-5-6-11-16(15)25-18/h5-11,13,18H,4H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyCUMCNUWPEHSQAP-UHFFFAOYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]propanamide
CID 2227143
N-(3-chlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164531
2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanoate
CID 78429784
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
ethyl 2-hydroxy-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
CID 69004783
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 19164925
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
N-(3-cyclohexylsulfanylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide
CID 5066342
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-phenylpropanamide
CID 18807696
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
N-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 50875750
N-(2-ethyl-6-methylphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108512129

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide (CID 19164529) is N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide is CCc1cccc(C)c1NC(=O)C(C)C1Sc2ccccc2NC1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
The InChIKey is CUMCNUWPEHSQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-4-14-9-7-8-12(2)17(14)22-19(23)13(3)18-20(24)21-15-10-5-6-11-16(15)25-18/h5-11,13,18H,4H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide?
N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide has a molecular weight of 354.48 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide is sourced from PubChem (CID 19164529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).