2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide

C19H23N3O3S — CID 119863655

IUPAC2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C19H23N3O3S/c20-18(13-15-5-2-1-3-6-15)19(23)21-16-7-4-8-17(14-16)22-9-11-26(24,25)12-10-22/h1-8,14,18H,9-13,20H2,(H,21,23)
InChIKeyWUEIMWDALJHDMI-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.43
Rot. Bonds5

About 2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide

2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide (PubChem CID 119863655) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide
PubChem CID119863655
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C19H23N3O3S/c20-18(13-15-5-2-1-3-6-15)19(23)21-16-7-4-8-17(14-16)22-9-11-26(24,25)12-10-22/h1-8,14,18H,9-13,20H2,(H,21,23)
InChIKeyWUEIMWDALJHDMI-UHFFFAOYSA-N
XLogP1.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-methylbutanamide
CID 119863677
3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide
CID 119953398
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119863681
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 119902578
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
1-benzyl-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 86835892
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide (CID 119863655) is 2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide?
The InChIKey is WUEIMWDALJHDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c20-18(13-15-5-2-1-3-6-15)19(23)21-16-7-4-8-17(14-16)22-9-11-26(24,25)12-10-22/h1-8,14,18H,9-13,20H2,(H,21,23).
What are the key properties of 2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide?
2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide has a molecular weight of 373.48 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119863655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).