6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide

C26H25ClN2O3S — CID 125064766

IUPAC6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide
SMILESCCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NC[C@H](C)c2ccccc2)S1(=O)=O
InChIInChI=1S/C26H25ClN2O3S/c1-3-29-23-15-14-21(27)16-22(23)24(20-12-8-5-9-13-20)25(33(29,31)32)26(30)28-17-18(2)19-10-6-4-7-11-19/h4-16,18H,3,17H2,1-2H3,(H,28,30)/t18-/m0/s1
InChIKeyGEYZASJBIHZZGX-SFHVURJKSA-N
MW481.02 g/mol
LogP5.19
Rot. Bonds6

About 6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide

6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 125064766) has the molecular formula C26H25ClN2O3S and a molecular weight of 481.02 g/mol. Its IUPAC name is 6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide
PubChem CID125064766
Molecular FormulaC26H25ClN2O3S
Molecular Weight481.02 g/mol
Exact Mass480.13
IUPAC Name6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide
SMILESCCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NC[C@H](C)c2ccccc2)S1(=O)=O
InChIInChI=1S/C26H25ClN2O3S/c1-3-29-23-15-14-21(27)16-22(23)24(20-12-8-5-9-13-20)25(33(29,31)32)26(30)28-17-18(2)19-10-6-4-7-11-19/h4-16,18H,3,17H2,1-2H3,(H,28,30)/t18-/m0/s1
InChIKeyGEYZASJBIHZZGX-SFHVURJKSA-N
XLogP5.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.02
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide with MolForge

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Related Compounds

6-chloro-1-ethyl-N-(2-methyl-6-propan-2-ylphenyl)-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592504
6-chloro-N-(4-ethoxyphenyl)-1-ethyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592469
6-chloro-1-methyl-N-(3-methylbutyl)-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592413
N-benzhydryl-1-ethyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592242
6-chloro-N-(4-ethylphenyl)-1-methyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592389
6-chloro-N-(2-chlorophenyl)-2,2-dioxo-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592546
N-(3-acetylphenyl)-6-chloro-2,2-dioxo-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592580
6-chloro-N-(2,4-dimethylphenyl)-2,2-dioxo-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592539
6-chloro-1-methyl-N-(2-methylsulfanylphenyl)-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592417
6-chloro-N-(2,4-difluorophenyl)-2,2-dioxo-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592572
N-(3-acetamidophenyl)-6-chloro-1-methyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592421
2-(2,5-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7870470

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of 6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide (CID 125064766) is 6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for 6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for 6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide is CCN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NC[C@H](C)c2ccccc2)S1(=O)=O.
What is the InChIKey of 6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is GEYZASJBIHZZGX-SFHVURJKSA-N. The full InChI is InChI=1S/C26H25ClN2O3S/c1-3-29-23-15-14-21(27)16-22(23)24(20-12-8-5-9-13-20)25(33(29,31)32)26(30)28-17-18(2)19-10-6-4-7-11-19/h4-16,18H,3,17H2,1-2H3,(H,28,30)/t18-/m0/s1.
What are the key properties of 6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide?
6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 481.02 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-2,2-dioxo-4-phenyl-N-[(2R)-2-phenylpropyl]-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 125064766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).