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

C20H22N2O3S — CID 2911632

IUPACN-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCCCCOc1ccccc1NC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C20H22N2O3S/c1-2-3-12-25-16-10-6-4-8-14(16)21-19(23)13-18-20(24)22-15-9-5-7-11-17(15)26-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyHOSNZHHGPLAGHZ-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.31
Rot. Bonds7

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

N-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 2911632) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID2911632
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCCCCOc1ccccc1NC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C20H22N2O3S/c1-2-3-12-25-16-10-6-4-8-14(16)21-19(23)13-18-20(24)22-15-9-5-7-11-17(15)26-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyHOSNZHHGPLAGHZ-UHFFFAOYSA-N
XLogP4.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 2911632) is N-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is CCCCOc1ccccc1NC(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of N-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is HOSNZHHGPLAGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-2-3-12-25-16-10-6-4-8-14(16)21-19(23)13-18-20(24)22-15-9-5-7-11-17(15)26-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 2911632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).