N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C20H22N2O3S — CID 18093717

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1cccc(OCCN(C)C(=O)CN2C(=O)CSc3ccccc32)c1
InChIInChI=1S/C20H22N2O3S/c1-15-6-5-7-16(12-15)25-11-10-21(2)19(23)13-22-17-8-3-4-9-18(17)26-14-20(22)24/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyRVEYSBLJSFRZJZ-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.97
Rot. Bonds6

About N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 18093717) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID18093717
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESCc1cccc(OCCN(C)C(=O)CN2C(=O)CSc3ccccc32)c1
InChIInChI=1S/C20H22N2O3S/c1-15-6-5-7-16(12-15)25-11-10-21(2)19(23)13-22-17-8-3-4-9-18(17)26-14-20(22)24/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyRVEYSBLJSFRZJZ-UHFFFAOYSA-N
XLogP2.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]propanoic acid
CID 119232485
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869844
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 38881217
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 119653152
N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 32757789
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18196008
2-(3,5-dimethylphenoxy)ethyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8921422
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 17438535
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
CID 18111140
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 61109512
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 18093717) is N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is Cc1cccc(OCCN(C)C(=O)CN2C(=O)CSc3ccccc32)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is RVEYSBLJSFRZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-6-5-7-16(12-15)25-11-10-21(2)19(23)13-22-17-8-3-4-9-18(17)26-14-20(22)24/h3-9,12H,10-11,13-14H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 18093717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).