2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

C22H34N4O4S2 — CID 20877262

IUPAC2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCN1CCCCC1C)C(=O)CS2
InChIInChI=1S/C22H34N4O4S2/c1-4-25(5-2)32(29,30)18-9-10-20-19(14-18)26(22(28)16-31-20)15-21(27)23-11-13-24-12-7-6-8-17(24)3/h9-10,14,17H,4-8,11-13,15-16H2,1-3H3,(H,23,27)
InChIKeyYLUGNKZSNFBCAN-UHFFFAOYSA-N
MW482.67 g/mol
LogP2.15
Rot. Bonds9

About 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide

2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide (PubChem CID 20877262) has the molecular formula C22H34N4O4S2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
PubChem CID20877262
Molecular FormulaC22H34N4O4S2
Molecular Weight482.67 g/mol
Exact Mass482.20
IUPAC Name2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCN1CCCCC1C)C(=O)CS2
InChIInChI=1S/C22H34N4O4S2/c1-4-25(5-2)32(29,30)18-9-10-20-19(14-18)26(22(28)16-31-20)15-21(27)23-11-13-24-12-7-6-8-17(24)3/h9-10,14,17H,4-8,11-13,15-16H2,1-3H3,(H,23,27)
InChIKeyYLUGNKZSNFBCAN-UHFFFAOYSA-N
XLogP2.15
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 47035882
2-[6-(dipropylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-heptylacetamide
CID 46372472
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(4-ethylphenyl)acetamide
CID 20877242
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzothiazin-4-yl]acetamide
CID 92504490
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N,N-bis(2-methylpropyl)acetamide
CID 122175922
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 20964939
5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473171
N-[3-(N-ethylanilino)propyl]-2-(3-oxo-6-pyrrolidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide
CID 20968415
2-[(6aS)-3-(diethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 95074634
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-(1-phenylbutan-2-yl)acetamide
CID 122175920
N-cycloheptyl-2-(3-oxo-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide
CID 4064303
methyl 2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917549

Frequently Asked Questions

What is the IUPAC name of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide (CID 20877262) is 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCN1CCCCC1C)C(=O)CS2.
What is the InChIKey of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is YLUGNKZSNFBCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4S2/c1-4-25(5-2)32(29,30)18-9-10-20-19(14-18)26(22(28)16-31-20)15-21(27)23-11-13-24-12-7-6-8-17(24)3/h9-10,14,17H,4-8,11-13,15-16H2,1-3H3,(H,23,27).
What are the key properties of 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 482.67 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(diethylsulfamoyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 20877262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).