N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

C18H18N2O4S — CID 1289338

IUPACN-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1
InChIInChI=1S/C18H18N2O4S/c1-23-11-7-8-14(24-2)13(9-11)19-17(21)10-16-18(22)20-12-5-3-4-6-15(12)25-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyLFQIYCKJRDAPGA-INIZCTEOSA-N
MW358.42 g/mol
LogP3.15
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (PubChem CID 1289338) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
PubChem CID1289338
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1
InChIInChI=1S/C18H18N2O4S/c1-23-11-7-8-14(24-2)13(9-11)19-17(21)10-16-18(22)20-12-5-3-4-6-15(12)25-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyLFQIYCKJRDAPGA-INIZCTEOSA-N
XLogP3.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[2,5-dimethoxy-4-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]phenyl]benzamide
CID 41071626
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691540
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 135481479
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691504
2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 23905261
N-(2,5-dimethoxyphenyl)-2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135692146
N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 8000269
methyl 2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 2242136
N-[(3,4-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9242306
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55439430

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide (CID 1289338) is N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is COc1ccc(OC)c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
The InChIKey is LFQIYCKJRDAPGA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-23-11-7-8-14(24-2)13(9-11)19-17(21)10-16-18(22)20-12-5-3-4-6-15(12)25-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)/t16-/m0/s1.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide is sourced from PubChem (CID 1289338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).