(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C19H19N3O4S2 — CID 42486750

IUPAC(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@@H]1Sc2ccc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)cc2NC1=O
InChIInChI=1S/C19H19N3O4S2/c1-12-18(23)21-16-11-13(3-8-17(16)27-12)19(24)20-14-4-6-15(7-5-14)22-9-2-10-28(22,25)26/h3-8,11-12H,2,9-10H2,1H3,(H,20,24)(H,21,23)/t12-/m0/s1
InChIKeyHERORUANIRLCMR-LBPRGKRZSA-N
MW417.51 g/mol
LogP2.91
Rot. Bonds3

About (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 42486750) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID42486750
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@@H]1Sc2ccc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)cc2NC1=O
InChIInChI=1S/C19H19N3O4S2/c1-12-18(23)21-16-11-13(3-8-17(16)27-12)19(24)20-14-4-6-15(7-5-14)22-9-2-10-28(22,25)26/h3-8,11-12H,2,9-10H2,1H3,(H,20,24)(H,21,23)/t12-/m0/s1
InChIKeyHERORUANIRLCMR-LBPRGKRZSA-N
XLogP2.91
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide 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

ethyl 4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]benzoate
CID 7780126
(2R)-2-methyl-3-oxo-N-(4-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 40791310
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 162521067
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
(2S)-2-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7779662
2-methyl-3-oxo-N-(3-piperidin-1-ylsulfanylphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 162521097
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559
2-methyl-3-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 134019707
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
CID 7424221
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 162521117

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 42486750) is (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is C[C@@H]1Sc2ccc(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)cc2NC1=O.
What is the InChIKey of (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is HERORUANIRLCMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-12-18(23)21-16-11-13(3-8-17(16)27-12)19(24)20-14-4-6-15(7-5-14)22-9-2-10-28(22,25)26/h3-8,11-12H,2,9-10H2,1H3,(H,20,24)(H,21,23)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 42486750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).