4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide

C20H22N2O2S — CID 7416279

IUPAC4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide
SMILESC[C@@H](NC(=O)CCCN1C(=O)CSc2ccccc21)c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-15(16-8-3-2-4-9-16)21-19(23)12-7-13-22-17-10-5-6-11-18(17)25-14-20(22)24/h2-6,8-11,15H,7,12-14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyNCPMDQKNGUWXJX-OAHLLOKOSA-N
MW354.48 g/mol
LogP3.78
Rot. Bonds6

About 4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide

4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide (PubChem CID 7416279) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide
PubChem CID7416279
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide
SMILESC[C@@H](NC(=O)CCCN1C(=O)CSc2ccccc21)c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-15(16-8-3-2-4-9-16)21-19(23)12-7-13-22-17-10-5-6-11-18(17)25-14-20(22)24/h2-6,8-11,15H,7,12-14H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyNCPMDQKNGUWXJX-OAHLLOKOSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-oxo-1,4-benzothiazin-4-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46479053
6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[(1S)-1-phenylethyl]hexanamide
CID 9315278
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 30997351
N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide
CID 42786222
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9225152
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9427016
(2S)-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]-N-propylpropanamide
CID 9227813
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55961677
2-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 7296677
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9263905
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 18196027
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate
CID 8921892

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide?
The IUPAC name of 4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide (CID 7416279) is 4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide.
What is the SMILES notation for 4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide?
The canonical SMILES for 4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide is C[C@@H](NC(=O)CCCN1C(=O)CSc2ccccc21)c1ccccc1.
What is the InChIKey of 4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide?
The InChIKey is NCPMDQKNGUWXJX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15(16-8-3-2-4-9-16)21-19(23)12-7-13-22-17-10-5-6-11-18(17)25-14-20(22)24/h2-6,8-11,15H,7,12-14H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide?
4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide has a molecular weight of 354.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-1,4-benzothiazin-4-yl)-N-[(1R)-1-phenylethyl]butanamide is sourced from PubChem (CID 7416279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).