N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

C18H18N2O3S — CID 110771492

IUPACN-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C18H18N2O3S/c1-23-14-5-2-12(3-6-14)10-19-17(21)9-13-4-7-16-15(8-13)20-18(22)11-24-16/h2-8H,9-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyFEWGKECTCAFNTL-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.60
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (PubChem CID 110771492) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
PubChem CID110771492
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc3c(c2)NC(=O)CS3)cc1
InChIInChI=1S/C18H18N2O3S/c1-23-14-5-2-12(3-6-14)10-19-17(21)9-13-4-7-16-15(8-13)20-18(22)11-24-16/h2-8H,9-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyFEWGKECTCAFNTL-UHFFFAOYSA-N
XLogP2.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 22551657
methyl N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]carbamate
CID 110784769
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 110784725
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7239079
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55662714
2-(2-fluorophenyl)-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]acetamide
CID 110784785
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110771494
1-amino-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]urea
CID 115192676
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]thiophene-2-carboxamide
CID 110784738
methyl 4-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808899
2-(2-methylphenyl)-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
CID 110790833
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (CID 110771492) is N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is COc1ccc(CNC(=O)Cc2ccc3c(c2)NC(=O)CS3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The InChIKey is FEWGKECTCAFNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-23-14-5-2-12(3-6-14)10-19-17(21)9-13-4-7-16-15(8-13)20-18(22)11-24-16/h2-8H,9-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is sourced from PubChem (CID 110771492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).