N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide

C19H18N2O2S — CID 71681050

IUPACN-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
SMILESCN(C(=O)CCCc1ccccc1)c1nc2ccccc2c(=O)s1
InChIInChI=1S/C19H18N2O2S/c1-21(17(22)13-7-10-14-8-3-2-4-9-14)19-20-16-12-6-5-11-15(16)18(23)24-19/h2-6,8-9,11-12H,7,10,13H2,1H3
InChIKeyOJASKMBVLDNDMH-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.64
Rot. Bonds5

About N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide

N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide (PubChem CID 71681050) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
PubChem CID71681050
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
SMILESCN(C(=O)CCCc1ccccc1)c1nc2ccccc2c(=O)s1
InChIInChI=1S/C19H18N2O2S/c1-21(17(22)13-7-10-14-8-3-2-4-9-14)19-20-16-12-6-5-11-15(16)18(23)24-19/h2-6,8-9,11-12H,7,10,13H2,1H3
InChIKeyOJASKMBVLDNDMH-UHFFFAOYSA-N
XLogP3.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The IUPAC name of N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide (CID 71681050) is N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide.
What is the SMILES notation for N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The canonical SMILES for N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide is CN(C(=O)CCCc1ccccc1)c1nc2ccccc2c(=O)s1.
What is the InChIKey of N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The InChIKey is OJASKMBVLDNDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-21(17(22)13-7-10-14-8-3-2-4-9-14)19-20-16-12-6-5-11-15(16)18(23)24-19/h2-6,8-9,11-12H,7,10,13H2,1H3.
What are the key properties of N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide has a molecular weight of 338.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 71681050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).