(2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide

C15H18N2O2S — CID 100558893

IUPAC(2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
SMILESCC(C)[C@@H](C)NC(=O)/C=C1\Sc2ccccc2NC1=O
InChIInChI=1S/C15H18N2O2S/c1-9(2)10(3)16-14(18)8-13-15(19)17-11-6-4-5-7-12(11)20-13/h4-10H,1-3H3,(H,16,18)(H,17,19)/b13-8-/t10-/m1/s1
InChIKeyWBIJEFISRYYJAQ-GARZTLJTSA-N
MW290.39 g/mol
LogP2.78
Rot. Bonds3

About (2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide

(2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide (PubChem CID 100558893) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
PubChem CID100558893
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
SMILESCC(C)[C@@H](C)NC(=O)/C=C1\Sc2ccccc2NC1=O
InChIInChI=1S/C15H18N2O2S/c1-9(2)10(3)16-14(18)8-13-15(19)17-11-6-4-5-7-12(11)20-13/h4-10H,1-3H3,(H,16,18)(H,17,19)/b13-8-/t10-/m1/s1
InChIKeyWBIJEFISRYYJAQ-GARZTLJTSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-[(2S)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 92756576
N-(3-methylbutan-2-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 91903413
N-butan-2-yl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 4110581
N-(3-methylbutyl)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 3433683
propan-2-yl (2E)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
CID 101252911
N-(2,2-dimethoxyethyl)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 3611840
(2Z)-N-[(4-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 6307072
(2Z)-N-cyclopentyl-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 6307047
(2Z)-N-[2-(4-methylphenyl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 46249840
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)-N-(3,3-dimethylbutan-2-yl)acetamide
CID 71959312
N-[4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]acetamide
CID 7996424
(2E)-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide
CID 93292945

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide?
The IUPAC name of (2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide (CID 100558893) is (2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide?
The canonical SMILES for (2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide is CC(C)[C@@H](C)NC(=O)/C=C1\Sc2ccccc2NC1=O.
What is the InChIKey of (2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide?
The InChIKey is WBIJEFISRYYJAQ-GARZTLJTSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9(2)10(3)16-14(18)8-13-15(19)17-11-6-4-5-7-12(11)20-13/h4-10H,1-3H3,(H,16,18)(H,17,19)/b13-8-/t10-/m1/s1.
What are the key properties of (2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide?
(2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(2R)-3-methylbutan-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetamide is sourced from PubChem (CID 100558893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).