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

C18H16Cl2N2O3S — CID 55434606

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC1Sc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C18H16Cl2N2O3S/c1-9-5-12(14(25-2)7-11(9)20)21-17(23)8-16-18(24)22-13-6-10(19)3-4-15(13)26-16/h3-7,16H,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKJJWHUBOVQNRSF-UHFFFAOYSA-N
MW411.31 g/mol
LogP4.75
Rot. Bonds4

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

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 55434606) has the molecular formula C18H16Cl2N2O3S and a molecular weight of 411.31 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID55434606
Molecular FormulaC18H16Cl2N2O3S
Molecular Weight411.31 g/mol
Exact Mass410.03
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CC1Sc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C18H16Cl2N2O3S/c1-9-5-12(14(25-2)7-11(9)20)21-17(23)8-16-18(24)22-13-6-10(19)3-4-15(13)26-16/h3-7,16H,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKJJWHUBOVQNRSF-UHFFFAOYSA-N
XLogP4.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1080513
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26877317
ethyl 2-[[2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoate
CID 1188525
ethyl 2-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate
CID 2918421
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535503
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 137204312
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618439
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136762049
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135600152
2-(6-bromo-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 23905261
N-[2,5-dimethoxy-4-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]phenyl]benzamide
CID 41071626

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 55434606) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CC1Sc2ccc(Cl)cc2NC1=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is KJJWHUBOVQNRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3S/c1-9-5-12(14(25-2)7-11(9)20)21-17(23)8-16-18(24)22-13-6-10(19)3-4-15(13)26-16/h3-7,16H,8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 411.31 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 55434606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).