N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide

C19H18N2O2S — CID 71681051

IUPACN-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
SMILESCc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1
InChIInChI=1S/C19H18N2O2S/c1-13-10-11-16-15(12-13)18(23)24-19(20-16)21-17(22)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21,22)
InChIKeyVQQSHXDVKOUEBL-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.93
Rot. Bonds5

About N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide

N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide (PubChem CID 71681051) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
PubChem CID71681051
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
SMILESCc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1
InChIInChI=1S/C19H18N2O2S/c1-13-10-11-16-15(12-13)18(23)24-19(20-16)21-17(22)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21,22)
InChIKeyVQQSHXDVKOUEBL-UHFFFAOYSA-N
XLogP3.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
2-(4-Amino-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135463623
3-Methyl-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020007
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009
2-(Prop-2-en-1-ylsulfanyl)-3,4-dihydroquinazolin-4-one
CID 135404691
4(3H)-Quinazolinone, 2-(ethylthio)-
CID 135435974
2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 680931
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776
3-Methyl-2-((4-methylbenzyl)thio)quinazolin-4(3H)-one
CID 2535450
2-[(3-cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinyl)thio]-N-methylacetamide
CID 2994561
2-[(3-fluorobenzyl)thio]quinazolin-4(3H)-one
CID 135418929
2-[(3,4-dimethylphenyl)amino]-4H-3,1-benzothiazin-4-one
CID 747378

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The IUPAC name of N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide (CID 71681051) is N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The canonical SMILES for N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide is Cc1ccc2nc(NC(=O)CCCc3ccccc3)sc(=O)c2c1.
What is the InChIKey of N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
The InChIKey is VQQSHXDVKOUEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-10-11-16-15(12-13)18(23)24-19(20-16)21-17(22)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21,22).
What are the key properties of N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide?
N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide has a molecular weight of 338.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 71681051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).