N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide

C17H20N2O5S — CID 113184838

IUPACN-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC(=O)N(C3CCS(=O)(=O)C3)C2)c1
InChIInChI=1S/C17H20N2O5S/c1-11(20)12-3-2-4-14(7-12)18-17(22)13-8-16(21)19(9-13)15-5-6-25(23,24)10-15/h2-4,7,13,15H,5-6,8-10H2,1H3,(H,18,22)
InChIKeyPZMDTJVYYKEUTP-UHFFFAOYSA-N
MW364.42 g/mol
LogP0.86
Rot. Bonds4

About N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide

N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113184838) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113184838
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC(=O)N(C3CCS(=O)(=O)C3)C2)c1
InChIInChI=1S/C17H20N2O5S/c1-11(20)12-3-2-4-14(7-12)18-17(22)13-8-16(21)19(9-13)15-5-6-25(23,24)10-15/h2-4,7,13,15H,5-6,8-10H2,1H3,(H,18,22)
InChIKeyPZMDTJVYYKEUTP-UHFFFAOYSA-N
XLogP0.86
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 39954335
1-(1,1-dioxothiolan-3-yl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113184836
1-(1,1-dioxothiolan-3-yl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184801
(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 51939886
(3R)-1-[(3R)-1,1-dioxothiolan-3-yl]-5-oxo-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 51953771
3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 119219560
N-(2,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184794
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
N-(3-acetylphenyl)-1,1-dioxothiane-3-carboxamide
CID 110861051
N-(2-tert-butylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184809
(3S)-1-cyclopentyl-N-[3-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 27447746
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 1116191

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 113184838) is N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CC(=O)N(C3CCS(=O)(=O)C3)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PZMDTJVYYKEUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-11(20)12-3-2-4-14(7-12)18-17(22)13-8-16(21)19(9-13)15-5-6-25(23,24)10-15/h2-4,7,13,15H,5-6,8-10H2,1H3,(H,18,22).
What are the key properties of N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113184838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).