N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

C17H15ClN2O2S — CID 110771540

IUPACN-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H15ClN2O2S/c1-10-2-4-12(18)8-13(10)19-16(21)7-11-3-5-15-14(6-11)20-17(22)9-23-15/h2-6,8H,7,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyCBSBNNOOCXODPF-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.87
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (PubChem CID 110771540) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
PubChem CID110771540
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C17H15ClN2O2S/c1-10-2-4-12(18)8-13(10)19-16(21)7-11-3-5-15-14(6-11)20-17(22)9-23-15/h2-6,8H,7,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyCBSBNNOOCXODPF-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771530
2-(3-oxo-4H-1,4-benzothiazin-6-yl)-N-phenylacetamide
CID 110771518
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771553
N-(5-chloro-2-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 29411119
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7292145
N-(5-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838585
N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110772315
2-(2-methylphenyl)-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
CID 110790833
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 110784725
6-[(2-aminoethylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115195329
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (CID 110771540) is N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)Cc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The InChIKey is CBSBNNOOCXODPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-10-2-4-12(18)8-13(10)19-16(21)7-11-3-5-15-14(6-11)20-17(22)9-23-15/h2-6,8H,7,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide has a molecular weight of 346.84 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is sourced from PubChem (CID 110771540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).