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

C18H16N2O3S — CID 71683092

IUPAC3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1
InChIInChI=1S/C18H16N2O3S/c1-23-13-6-4-5-12(11-13)9-10-16(21)20-18-19-15-8-3-2-7-14(15)17(22)24-18/h2-8,11H,9-10H2,1H3,(H,19,20,21)
InChIKeyYPRGLOMMHZBVJQ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.24
Rot. Bonds5

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

3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide (PubChem CID 71683092) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
PubChem CID71683092
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1
InChIInChI=1S/C18H16N2O3S/c1-23-13-6-4-5-12(11-13)9-10-16(21)20-18-19-15-8-3-2-7-14(15)17(22)24-18/h2-8,11H,9-10H2,1H3,(H,19,20,21)
InChIKeyYPRGLOMMHZBVJQ-UHFFFAOYSA-N
XLogP3.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 46665605
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610
3-(3-methoxyphenyl)-N-[5-[4-[5-[3-(3-methoxyphenyl)propanoylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 90165530
N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289848
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 7948419
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
CID 71681053
ethyl 2-[2-[3-(3-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 24620243
3-(3-methoxyphenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 110725062
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide
CID 110645143
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide (CID 71683092) is 3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide is COc1cccc(CCC(=O)Nc2nc3ccccc3c(=O)s2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide?
The InChIKey is YPRGLOMMHZBVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-23-13-6-4-5-12(11-13)9-10-16(21)20-18-19-15-8-3-2-7-14(15)17(22)24-18/h2-8,11H,9-10H2,1H3,(H,19,20,21).
What are the key properties of 3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide?
3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide has a molecular weight of 340.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide is sourced from PubChem (CID 71683092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).