N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C19H18ClN3O3S — CID 9409919

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C19H18ClN3O3S/c1-23(11-17(24)21-13-7-3-2-6-12(13)20)18(25)10-16-19(26)22-14-8-4-5-9-15(14)27-16/h2-9,16H,10-11H2,1H3,(H,21,24)(H,22,26)/t16-/m1/s1
InChIKeySDCDMRJYDDDMJQ-MRXNPFEDSA-N
MW403.89 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 9409919) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID9409919
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)C[C@H]1Sc2ccccc2NC1=O
InChIInChI=1S/C19H18ClN3O3S/c1-23(11-17(24)21-13-7-3-2-6-12(13)20)18(25)10-16-19(26)22-14-8-4-5-9-15(14)27-16/h2-9,16H,10-11H2,1H3,(H,21,24)(H,22,26)/t16-/m1/s1
InChIKeySDCDMRJYDDDMJQ-MRXNPFEDSA-N
XLogP3.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2945832
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 8008349
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 42920527
N-(3-chloro-2-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9146240
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
2-methyl-3-[methyl-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]propanoic acid
CID 119228643
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26877317
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1080513
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9182914
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 9409919) is N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)C[C@H]1Sc2ccccc2NC1=O.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is SDCDMRJYDDDMJQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-23(11-17(24)21-13-7-3-2-6-12(13)20)18(25)10-16-19(26)22-14-8-4-5-9-15(14)27-16/h2-9,16H,10-11H2,1H3,(H,21,24)(H,22,26)/t16-/m1/s1.
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 403.89 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 9409919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).