N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C21H23N3O5S2 — CID 4853018

IUPACN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C21H23N3O5S2/c1-14-6-7-15(31(27,28)24-8-10-29-11-9-24)12-17(14)22-20(25)13-19-21(26)23-16-4-2-3-5-18(16)30-19/h2-7,12,19H,8-11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyOMCWMHYPJBFTFV-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.46
Rot. Bonds5

About N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 4853018) has the molecular formula C21H23N3O5S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID4853018
Molecular FormulaC21H23N3O5S2
Molecular Weight461.57 g/mol
Exact Mass461.11
IUPAC NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1Sc2ccccc2NC1=O
InChIInChI=1S/C21H23N3O5S2/c1-14-6-7-15(31(27,28)24-8-10-29-11-9-24)12-17(14)22-20(25)13-19-21(26)23-16-4-2-3-5-18(16)30-19/h2-7,12,19H,8-11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyOMCWMHYPJBFTFV-UHFFFAOYSA-N
XLogP2.46
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 2550456
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 42928706
N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 24634893
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700800
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40834810
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 7818357
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 55329459
N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55977401
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 4853018) is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1Sc2ccccc2NC1=O.
What is the InChIKey of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is OMCWMHYPJBFTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S2/c1-14-6-7-15(31(27,28)24-8-10-29-11-9-24)12-17(14)22-20(25)13-19-21(26)23-16-4-2-3-5-18(16)30-19/h2-7,12,19H,8-11,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 461.57 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 4853018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).