N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C21H23ClN4O2S — CID 134037859

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)CC2Sc3ccccc3NC2=O)CC1
InChIInChI=1S/C21H23ClN4O2S/c1-25-8-10-26(11-9-25)17-7-6-14(22)12-16(17)23-20(27)13-19-21(28)24-15-4-2-3-5-18(15)29-19/h2-7,12,19H,8-11,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyUNWCMHHOYKEMGG-UHFFFAOYSA-N
MW430.96 g/mol
LogP3.53
Rot. Bonds4

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 134037859) has the molecular formula C21H23ClN4O2S and a molecular weight of 430.96 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID134037859
Molecular FormulaC21H23ClN4O2S
Molecular Weight430.96 g/mol
Exact Mass430.12
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)CC2Sc3ccccc3NC2=O)CC1
InChIInChI=1S/C21H23ClN4O2S/c1-25-8-10-26(11-9-25)17-7-6-14(22)12-16(17)23-20(27)13-19-21(28)24-15-4-2-3-5-18(15)29-19/h2-7,12,19H,8-11,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyUNWCMHHOYKEMGG-UHFFFAOYSA-N
XLogP3.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9211540
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 56523313
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40834810
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
N-(1-methylpiperidin-4-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 30837864
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 25331779
N-(3-chloro-4-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4116869
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-(2,3-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2945832
N-(2-ethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 701747
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 134037859) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is CN1CCN(c2ccc(Cl)cc2NC(=O)CC2Sc3ccccc3NC2=O)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is UNWCMHHOYKEMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S/c1-25-8-10-26(11-9-25)17-7-6-14(22)12-16(17)23-20(27)13-19-21(28)24-15-4-2-3-5-18(15)29-19/h2-7,12,19H,8-11,13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 430.96 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 134037859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).