6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one

C24H29N3O3S — CID 15590123

IUPAC6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one
SMILESCCOc1ccccc1N1CCN(CCCC(=O)c2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C24H29N3O3S/c1-2-30-22-8-4-3-6-20(22)27-14-12-26(13-15-27)11-5-7-21(28)18-9-10-23-19(16-18)25-24(29)17-31-23/h3-4,6,8-10,16H,2,5,7,11-15,17H2,1H3,(H,25,29)
InChIKeyWNWLQWWOGGTYRB-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.91
Rot. Bonds8

About 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one

6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one (PubChem CID 15590123) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one
PubChem CID15590123
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one
SMILESCCOc1ccccc1N1CCN(CCCC(=O)c2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C24H29N3O3S/c1-2-30-22-8-4-3-6-20(22)27-14-12-26(13-15-27)11-5-7-21(28)18-9-10-23-19(16-18)25-24(29)17-31-23/h3-4,6,8-10,16H,2,5,7,11-15,17H2,1H3,(H,25,29)
InChIKeyWNWLQWWOGGTYRB-UHFFFAOYSA-N
XLogP3.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one (CID 15590123) is 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one is CCOc1ccccc1N1CCN(CCCC(=O)c2ccc3c(c2)NC(=O)CS3)CC1.
What is the InChIKey of 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is WNWLQWWOGGTYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-2-30-22-8-4-3-6-20(22)27-14-12-26(13-15-27)11-5-7-21(28)18-9-10-23-19(16-18)25-24(29)17-31-23/h3-4,6,8-10,16H,2,5,7,11-15,17H2,1H3,(H,25,29).
What are the key properties of 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one?
6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 439.58 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 15590123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).