3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide

C18H24N2O3S — CID 111484704

IUPAC3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCN(C)Cc1c(C(=O)NCC2(O)CCSCC2)oc2ccccc12
InChIInChI=1S/C18H24N2O3S/c1-20(2)11-14-13-5-3-4-6-15(13)23-16(14)17(21)19-12-18(22)7-9-24-10-8-18/h3-6,22H,7-12H2,1-2H3,(H,19,21)
InChIKeyMZPVCGLBDOZUBI-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.48
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide

3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 111484704) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID111484704
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCN(C)Cc1c(C(=O)NCC2(O)CCSCC2)oc2ccccc12
InChIInChI=1S/C18H24N2O3S/c1-20(2)11-14-13-5-3-4-6-15(13)23-16(14)17(21)19-12-18(22)7-9-24-10-8-18/h3-6,22H,7-12H2,1-2H3,(H,19,21)
InChIKeyMZPVCGLBDOZUBI-UHFFFAOYSA-N
XLogP2.48
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 95932852
3-[(dimethylamino)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide;dihydrochloride
CID 120948162
3-[(dimethylamino)methyl]-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 71990827
3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 71991550
3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride
CID 119462752
N-[2-(2-carbamoyl-4-hydroxyphenoxy)ethyl]-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide
CID 86600353
[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 56790369
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 11749858
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide;methane
CID 159274996
5-bromo-N-[(4-hydroxythian-4-yl)methyl]-3-methylfuran-2-carboxamide
CID 111484647
N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide
CID 166239486

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide (CID 111484704) is 3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide is CN(C)Cc1c(C(=O)NCC2(O)CCSCC2)oc2ccccc12.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is MZPVCGLBDOZUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-20(2)11-14-13-5-3-4-6-15(13)23-16(14)17(21)19-12-18(22)7-9-24-10-8-18/h3-6,22H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide?
3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111484704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).