3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide

C22H26N2O3S — CID 60533644

IUPAC3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C22H26N2O3S/c1-14(2)27-18-9-6-16(7-10-18)5-4-15(3)23-22(26)17-8-11-20-19(12-17)24-21(25)13-28-20/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyAVOILNJBSSRUBU-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.27
Rot. Bonds7

About 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide

3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 60533644) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide
PubChem CID60533644
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C22H26N2O3S/c1-14(2)27-18-9-6-16(7-10-18)5-4-15(3)23-22(26)17-8-11-20-19(12-17)24-21(25)13-28-20/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyAVOILNJBSSRUBU-UHFFFAOYSA-N
XLogP4.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide with MolForge

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Related Compounds

N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4877312
3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide
CID 55959074
4-methoxy-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid
CID 120701904
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3237736
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55662714
N-[2-(4-fluorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2712714
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 7239079
N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
N-[1-(2-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17420016
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-[(2R)-4-phenylbutan-2-yl]-4H-1,4-benzothiazine-6-carboxamide
CID 92697023

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide (CID 60533644) is 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide is CC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is AVOILNJBSSRUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-14(2)27-18-9-6-16(7-10-18)5-4-15(3)23-22(26)17-8-11-20-19(12-17)24-21(25)13-28-20/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide?
3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 60533644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).