N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide

C20H21ClN2O2S — CID 20899615

IUPACN-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
SMILESCC1CN(C(=O)CCC(=O)NCc2ccccc2Cl)c2ccccc2S1
InChIInChI=1S/C20H21ClN2O2S/c1-14-13-23(17-8-4-5-9-18(17)26-14)20(25)11-10-19(24)22-12-15-6-2-3-7-16(15)21/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyWZPIBCMCMGFPCW-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.26
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide

N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide (PubChem CID 20899615) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
PubChem CID20899615
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
SMILESCC1CN(C(=O)CCC(=O)NCc2ccccc2Cl)c2ccccc2S1
InChIInChI=1S/C20H21ClN2O2S/c1-14-13-23(17-8-4-5-9-18(17)26-14)20(25)11-10-19(24)22-12-15-6-2-3-7-16(15)21/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyWZPIBCMCMGFPCW-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide (CID 20899615) is N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide is CC1CN(C(=O)CCC(=O)NCc2ccccc2Cl)c2ccccc2S1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide?
The InChIKey is WZPIBCMCMGFPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-14-13-23(17-8-4-5-9-18(17)26-14)20(25)11-10-19(24)22-12-15-6-2-3-7-16(15)21/h2-9,14H,10-13H2,1H3,(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide?
N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide has a molecular weight of 388.92 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 20899615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).