6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide

C22H20ClN3O4S2 — CID 54733982

IUPAC6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2cccc(CCCc3ccccc3)n2)=C(O)c2sc(Cl)cc2S1(=O)=O
InChIInChI=1S/C22H20ClN3O4S2/c1-26-19(20(27)21-16(32(26,29)30)13-17(23)31-21)22(28)25-18-12-6-11-15(24-18)10-5-9-14-7-3-2-4-8-14/h2-4,6-8,11-13,27H,5,9-10H2,1H3,(H,24,25,28)
InChIKeyVVEKAOLSLVLZLO-UHFFFAOYSA-N
MW490.01 g/mol
LogP4.47
Rot. Bonds6

About 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide

6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide (PubChem CID 54733982) has the molecular formula C22H20ClN3O4S2 and a molecular weight of 490.01 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide
PubChem CID54733982
Molecular FormulaC22H20ClN3O4S2
Molecular Weight490.01 g/mol
Exact Mass489.06
IUPAC Name6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2cccc(CCCc3ccccc3)n2)=C(O)c2sc(Cl)cc2S1(=O)=O
InChIInChI=1S/C22H20ClN3O4S2/c1-26-19(20(27)21-16(32(26,29)30)13-17(23)31-21)22(28)25-18-12-6-11-15(24-18)10-5-9-14-7-3-2-4-8-14/h2-4,6-8,11-13,27H,5,9-10H2,1H3,(H,24,25,28)
InChIKeyVVEKAOLSLVLZLO-UHFFFAOYSA-N
XLogP4.47
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 69171373
6-bromo-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 54717105
4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54694104
1-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl]oxyethyl N-methoxycarbamate
CID 87881345
N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54694112
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54679479
N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 59330713
N-[5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-1,2-oxazol-3-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 70410637
2-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylic acid
CID 131708840
1-hydroxy-3-methyl-4,4-dioxo-N-phenylbenzo[f][1,2]benzothiazine-2-carboxamide
CID 54718441
N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 89059949
4-hydroxy-2-methyl-1,1-dioxo-N-(3,4,5,6-tetradeuterio-2-pyridinyl)thieno[2,3-e]thiazine-3-carboxamide
CID 71752364

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide?
The IUPAC name of 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide (CID 54733982) is 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide is CN1C(C(=O)Nc2cccc(CCCc3ccccc3)n2)=C(O)c2sc(Cl)cc2S1(=O)=O.
What is the InChIKey of 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide?
The InChIKey is VVEKAOLSLVLZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S2/c1-26-19(20(27)21-16(32(26,29)30)13-17(23)31-21)22(28)25-18-12-6-11-15(24-18)10-5-9-14-7-3-2-4-8-14/h2-4,6-8,11-13,27H,5,9-10H2,1H3,(H,24,25,28).
What are the key properties of 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide?
6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide has a molecular weight of 490.01 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-[6-(3-phenylpropyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide is sourced from PubChem (CID 54733982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).