N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C23H24N4O2S — CID 42894795

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C23H24N4O2S/c1-15-18(16(2)27(25-15)17-9-5-4-6-10-17)14-26(3)22(28)13-21-23(29)24-19-11-7-8-12-20(19)30-21/h4-12,21H,13-14H2,1-3H3,(H,24,29)
InChIKeyZYAQMGBOWMQXJJ-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.95
Rot. Bonds5

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 42894795) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID42894795
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C23H24N4O2S/c1-15-18(16(2)27(25-15)17-9-5-4-6-10-17)14-26(3)22(28)13-21-23(29)24-19-11-7-8-12-20(19)30-21/h4-12,21H,13-14H2,1-3H3,(H,24,29)
InChIKeyZYAQMGBOWMQXJJ-UHFFFAOYSA-N
XLogP3.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 40797002
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 40797001
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51181536
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27774120
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 9268418
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9469771
N-[(2-methoxyphenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27824819
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
CID 78799265
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 8008349
N-methyl-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 9437479
N-methyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 40954509
N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 42894795) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is ZYAQMGBOWMQXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-15-18(16(2)27(25-15)17-9-5-4-6-10-17)14-26(3)22(28)13-21-23(29)24-19-11-7-8-12-20(19)30-21/h4-12,21H,13-14H2,1-3H3,(H,24,29).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 420.54 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 42894795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).