N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C21H21ClN2O3S — CID 60574944

IUPACN-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C21H21ClN2O3S/c22-15-11-13(9-10-17(15)27-14-5-1-2-6-14)23-20(25)12-19-21(26)24-16-7-3-4-8-18(16)28-19/h3-4,7-11,14,19H,1-2,5-6,12H2,(H,23,25)(H,24,26)
InChIKeyYMRWQJXGWGBEPK-UHFFFAOYSA-N
MW416.93 g/mol
LogP5.10
Rot. Bonds5

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

N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 60574944) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID60574944
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC NameN-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESO=C(CC1Sc2ccccc2NC1=O)Nc1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C21H21ClN2O3S/c22-15-11-13(9-10-17(15)27-14-5-1-2-6-14)23-20(25)12-19-21(26)24-16-7-3-4-8-18(16)28-19/h3-4,7-11,14,19H,1-2,5-6,12H2,(H,23,25)(H,24,26)
InChIKeyYMRWQJXGWGBEPK-UHFFFAOYSA-N
XLogP5.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.93
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4116869
N-(3,5-dichlorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2936875
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9495359
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-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
N-(4-methoxy-3-sulfamoylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 8000269
N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634
N'-(3,4-dichlorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetohydrazide
CID 1211496
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2960294
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 134019708
4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]benzamide
CID 55945590

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 60574944) is N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is O=C(CC1Sc2ccccc2NC1=O)Nc1ccc(OC2CCCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is YMRWQJXGWGBEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c22-15-11-13(9-10-17(15)27-14-5-1-2-6-14)23-20(25)12-19-21(26)24-16-7-3-4-8-18(16)28-19/h3-4,7-11,14,19H,1-2,5-6,12H2,(H,23,25)(H,24,26).
What are the key properties of N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 416.93 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyclopentyloxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 60574944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).