N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide

C22H20N4O6S — CID 43060186

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)o1
InChIInChI=1S/C22H20N4O6S/c1-12(27)23-8-15-3-5-17(32-15)16-10-33-22(24-16)25-21(29)13-6-20(28)26(9-13)14-2-4-18-19(7-14)31-11-30-18/h2-5,7,10,13H,6,8-9,11H2,1H3,(H,23,27)(H,24,25,29)
InChIKeyDATMOEHXSUSYOA-UHFFFAOYSA-N
MW468.49 g/mol
LogP2.76
Rot. Bonds6

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43060186) has the molecular formula C22H20N4O6S and a molecular weight of 468.49 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43060186
Molecular FormulaC22H20N4O6S
Molecular Weight468.49 g/mol
Exact Mass468.11
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)o1
InChIInChI=1S/C22H20N4O6S/c1-12(27)23-8-15-3-5-17(32-15)16-10-33-22(24-16)25-21(29)13-6-20(28)26(9-13)14-2-4-18-19(7-14)31-11-30-18/h2-5,7,10,13H,6,8-9,11H2,1H3,(H,23,27)(H,24,25,29)
InChIKeyDATMOEHXSUSYOA-UHFFFAOYSA-N
XLogP2.76
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-1-(1,3-benzodioxol-5-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 31965632
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46587330
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43059787
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 36540506
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 41136120
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 25353564
1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 84503527
1-(1,3-benzodioxol-5-yl)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 108733164
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55468721
1-(1,3-benzodioxol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 134059665
tert-butyl 3-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 55468277
1-(1,3-benzodioxol-5-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 46589752

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 43060186) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCO5)C3)n2)o1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DATMOEHXSUSYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O6S/c1-12(27)23-8-15-3-5-17(32-15)16-10-33-22(24-16)25-21(29)13-6-20(28)26(9-13)14-2-4-18-19(7-14)31-11-30-18/h2-5,7,10,13H,6,8-9,11H2,1H3,(H,23,27)(H,24,25,29).
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 468.49 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43060186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).