N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide

C18H18N2O2S — CID 121196683

IUPACN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide
SMILESCc1ccsc1CCC(=O)NCc1ccc(-c2ccoc2)nc1
InChIInChI=1S/C18H18N2O2S/c1-13-7-9-23-17(13)4-5-18(21)20-11-14-2-3-16(19-10-14)15-6-8-22-12-15/h2-3,6-10,12H,4-5,11H2,1H3,(H,20,21)
InChIKeyNMIHKYRCOHNVNU-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.96
Rot. Bonds6

About N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide (PubChem CID 121196683) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide
PubChem CID121196683
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide
SMILESCc1ccsc1CCC(=O)NCc1ccc(-c2ccoc2)nc1
InChIInChI=1S/C18H18N2O2S/c1-13-7-9-23-17(13)4-5-18(21)20-11-14-2-3-16(19-10-14)15-6-8-22-12-15/h2-3,6-10,12H,4-5,11H2,1H3,(H,20,21)
InChIKeyNMIHKYRCOHNVNU-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-3-methylphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105221
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 122246956
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 121196701
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 121196825
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121022451
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 121022431
2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121196651
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 121196771
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 121196726
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
CID 121196612
2-(1,2-benzoxazol-3-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 119105233
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]cyclohexanecarboxamide
CID 121196766

Frequently Asked Questions

What is the IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide?
The IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide (CID 121196683) is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide.
What is the SMILES notation for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide?
The canonical SMILES for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide is Cc1ccsc1CCC(=O)NCc1ccc(-c2ccoc2)nc1.
What is the InChIKey of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide?
The InChIKey is NMIHKYRCOHNVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-7-9-23-17(13)4-5-18(21)20-11-14-2-3-16(19-10-14)15-6-8-22-12-15/h2-3,6-10,12H,4-5,11H2,1H3,(H,20,21).
What are the key properties of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide?
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide has a molecular weight of 326.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 121196683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).