4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide

C21H26N4O5S2 — CID 22577779

IUPAC4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(C(=O)c3ccco3)CC1)CCS2
InChIInChI=1S/C21H26N4O5S2/c1-22(2)32(28,29)16-5-6-19-17(14-16)25(11-13-31-19)15-20(26)23-7-9-24(10-8-23)21(27)18-4-3-12-30-18/h3-6,12,14H,7-11,13,15H2,1-2H3
InChIKeyKTXNQRRZOVQLAA-UHFFFAOYSA-N
MW478.60 g/mol
LogP1.43
Rot. Bonds5

About 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide

4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide (PubChem CID 22577779) has the molecular formula C21H26N4O5S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound Name4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
PubChem CID22577779
Molecular FormulaC21H26N4O5S2
Molecular Weight478.60 g/mol
Exact Mass478.13
IUPAC Name4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(C(=O)c3ccco3)CC1)CCS2
InChIInChI=1S/C21H26N4O5S2/c1-22(2)32(28,29)16-5-6-19-17(14-16)25(11-13-31-19)15-20(26)23-7-9-24(10-8-23)21(27)18-4-3-12-30-18/h3-6,12,14H,7-11,13,15H2,1-2H3
InChIKeyKTXNQRRZOVQLAA-UHFFFAOYSA-N
XLogP1.43
TPSA94.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide with MolForge

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Related Compounds

4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3H-1,4-benzoxazin-2-one
CID 39068775
2-(2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 46352700
5-(dimethylsulfamoyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736632
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 110801908
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 6215811
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
CID 74239747
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113147911
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide
CID 113149291
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide (CID 22577779) is 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN(C(=O)c3ccco3)CC1)CCS2.
What is the InChIKey of 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
The InChIKey is KTXNQRRZOVQLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S2/c1-22(2)32(28,29)16-5-6-19-17(14-16)25(11-13-31-19)15-20(26)23-7-9-24(10-8-23)21(27)18-4-3-12-30-18/h3-6,12,14H,7-11,13,15H2,1-2H3.
What are the key properties of 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide?
4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide has a molecular weight of 478.60 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N,N-dimethyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 22577779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).