2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide

C23H25N3O5S — CID 55658462

IUPAC2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCSC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C23H25N3O5S/c27-20(24-14-23(5-11-32-15-23)25-6-9-30-10-7-25)16-3-4-18-19(12-16)22(29)26(21(18)28)13-17-2-1-8-31-17/h1-4,8,12H,5-7,9-11,13-15H2,(H,24,27)
InChIKeyVMGHQBJLVLAWRZ-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.01
Rot. Bonds6

About 2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide

2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55658462) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID55658462
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCSC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C23H25N3O5S/c27-20(24-14-23(5-11-32-15-23)25-6-9-30-10-7-25)16-3-4-18-19(12-16)22(29)26(21(18)28)13-17-2-1-8-31-17/h1-4,8,12H,5-7,9-11,13-15H2,(H,24,27)
InChIKeyVMGHQBJLVLAWRZ-UHFFFAOYSA-N
XLogP2.01
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide with MolForge

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Related Compounds

4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 27810224
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709
2-(furan-2-ylmethyl)-1,3-dioxo-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 31302519
2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 7394298
1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 94028637
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
1-ethyl-2-(furan-2-ylmethyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 110937224
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 111355498
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536
N-cyclohexyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2452442
3-methoxy-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-phenylmethoxybenzamide
CID 55658528

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide (CID 55658462) is 2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide is O=C(NCC1(N2CCOCC2)CCSC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of 2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is VMGHQBJLVLAWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c27-20(24-14-23(5-11-32-15-23)25-6-9-30-10-7-25)16-3-4-18-19(12-16)22(29)26(21(18)28)13-17-2-1-8-31-17/h1-4,8,12H,5-7,9-11,13-15H2,(H,24,27).
What are the key properties of 2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide?
2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55658462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).