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

C19H23N3O3S — CID 119953398

IUPAC3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide
SMILESNC(CC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccc1
InChIInChI=1S/C19H23N3O3S/c20-18(15-5-2-1-3-6-15)14-19(23)21-16-7-4-8-17(13-16)22-9-11-26(24,25)12-10-22/h1-8,13,18H,9-12,14,20H2,(H,21,23)
InChIKeyODEHFBZVHIRMPG-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.95
Rot. Bonds5

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

3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide (PubChem CID 119953398) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide
PubChem CID119953398
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide
SMILESNC(CC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccc1
InChIInChI=1S/C19H23N3O3S/c20-18(15-5-2-1-3-6-15)14-19(23)21-16-7-4-8-17(13-16)22-9-11-26(24,25)12-10-22/h1-8,13,18H,9-12,14,20H2,(H,21,23)
InChIKeyODEHFBZVHIRMPG-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide
CID 119863655
(2S)-2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-methylbutanamide
CID 119863677
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119863681
3-amino-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-phenylpropanamide
CID 119953269
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86833830
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
1-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119863690
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide
CID 119949591
3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride
CID 119892250
3-amino-N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide;hydrochloride
CID 119948702

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide (CID 119953398) is 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide is NC(CC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccc1.
What is the InChIKey of 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide?
The InChIKey is ODEHFBZVHIRMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c20-18(15-5-2-1-3-6-15)14-19(23)21-16-7-4-8-17(13-16)22-9-11-26(24,25)12-10-22/h1-8,13,18H,9-12,14,20H2,(H,21,23).
What are the key properties of 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide?
3-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 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119953398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).