N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H27N3O5S — CID 56544904

IUPACN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)CC1=O
InChIInChI=1S/C20H27N3O5S/c1-3-15-6-4-5-7-17(15)23-13-16(12-18(23)24)19(25)21-14(2)20(26)22-8-10-29(27,28)11-9-22/h4-7,14,16H,3,8-13H2,1-2H3,(H,21,25)
InChIKeySVQZQJIHXPMOJR-UHFFFAOYSA-N
MW421.52 g/mol
LogP0.36
Rot. Bonds5

About N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 56544904) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID56544904
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)CC1=O
InChIInChI=1S/C20H27N3O5S/c1-3-15-6-4-5-7-17(15)23-13-16(12-18(23)24)19(25)21-14(2)20(26)22-8-10-29(27,28)11-9-22/h4-7,14,16H,3,8-13H2,1-2H3,(H,21,25)
InChIKeySVQZQJIHXPMOJR-UHFFFAOYSA-N
XLogP0.36
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethylphenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 56533167
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673
2-[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119136960
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 56544808
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983
1-(2-ethylphenyl)-N-[2-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120827980
(3R)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94797170
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350964
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
2-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119224981

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 56544904) is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)NC(C)C(=O)N2CCS(=O)(=O)CC2)CC1=O.
What is the InChIKey of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SVQZQJIHXPMOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-3-15-6-4-5-7-17(15)23-13-16(12-18(23)24)19(25)21-14(2)20(26)22-8-10-29(27,28)11-9-22/h4-7,14,16H,3,8-13H2,1-2H3,(H,21,25).
What are the key properties of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 56544904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).