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

C16H12N2O2S — CID 648853

IUPAC4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3c(=O)s2)cc1
InChIInChI=1S/C16H12N2O2S/c1-10-6-8-11(9-7-10)14(19)18-16-17-13-5-3-2-4-12(13)15(20)21-16/h2-9H,1H3,(H,17,18,19)
InChIKeySOQQRPCGIHRQQC-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.22
Rot. Bonds2

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

4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide (PubChem CID 648853) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
PubChem CID648853
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3c(=O)s2)cc1
InChIInChI=1S/C16H12N2O2S/c1-10-6-8-11(9-7-10)14(19)18-16-17-13-5-3-2-4-12(13)15(20)21-16/h2-9H,1H3,(H,17,18,19)
InChIKeySOQQRPCGIHRQQC-UHFFFAOYSA-N
XLogP3.22
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylphenyl)quinazolin-4(3H)-one
CID 135452109
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
(4-Hydroxy-quinazolin-2-ylsulfanyl)-acetic acid
CID 135409719
Bis-quinazolinone 5
CID 145996538
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
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)-3-phenyl-
CID 63761
4(3H)-Quinazolinone, 2-(ethylthio)-
CID 135435974
4(3H)-Quinazolinone, 2-methylthio-3-phenyl-
CID 64035

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide?
The IUPAC name of 4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide (CID 648853) is 4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide?
The canonical SMILES for 4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide is Cc1ccc(C(=O)Nc2nc3ccccc3c(=O)s2)cc1.
What is the InChIKey of 4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide?
The InChIKey is SOQQRPCGIHRQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c1-10-6-8-11(9-7-10)14(19)18-16-17-13-5-3-2-4-12(13)15(20)21-16/h2-9H,1H3,(H,17,18,19).
What are the key properties of 4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide?
4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide has a molecular weight of 296.35 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)benzamide is sourced from PubChem (CID 648853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).