4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide

C20H24N2O3S — CID 20955927

IUPAC4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCN2CCSc3ccccc32)cc1OC
InChIInChI=1S/C20H24N2O3S/c1-24-17-10-9-15(14-18(17)25-2)21-20(23)8-5-11-22-12-13-26-19-7-4-3-6-16(19)22/h3-4,6-7,9-10,14H,5,8,11-13H2,1-2H3,(H,21,23)
InChIKeyHMICLOWKPVQLKW-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.03
Rot. Bonds7

About 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide

4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide (PubChem CID 20955927) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide
PubChem CID20955927
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCN2CCSc3ccccc32)cc1OC
InChIInChI=1S/C20H24N2O3S/c1-24-17-10-9-15(14-18(17)25-2)21-20(23)8-5-11-22-12-13-26-19-7-4-3-6-16(19)22/h3-4,6-7,9-10,14H,5,8,11-13H2,1-2H3,(H,21,23)
InChIKeyHMICLOWKPVQLKW-UHFFFAOYSA-N
XLogP4.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8591921
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4,5-dimethoxy-2-methylphenyl)-4-oxobutanamide
CID 56559593
N-(3-cyanophenyl)-2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetamide
CID 8591940
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8591987
N'-(3-aminophenyl)-N-(3,4-dimethoxyphenyl)heptanediamide
CID 71483836
N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
CID 11558534
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide (CID 20955927) is 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide is COc1ccc(NC(=O)CCCN2CCSc3ccccc32)cc1OC.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide?
The InChIKey is HMICLOWKPVQLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-24-17-10-9-15(14-18(17)25-2)21-20(23)8-5-11-22-12-13-26-19-7-4-3-6-16(19)22/h3-4,6-7,9-10,14H,5,8,11-13H2,1-2H3,(H,21,23).
What are the key properties of 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide?
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 372.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 20955927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).