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

C18H18N2OS2 — CID 121177697

IUPAC3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
SMILESCc1ccsc1CCC(=O)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C18H18N2OS2/c1-13-6-10-23-16(13)4-5-17(21)20-11-14-3-2-8-19-18(14)15-7-9-22-12-15/h2-3,6-10,12H,4-5,11H2,1H3,(H,20,21)
InChIKeyYNQLWVJFWDDTTO-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.43
Rot. Bonds6

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

3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide (PubChem CID 121177697) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
PubChem CID121177697
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC Name3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
SMILESCc1ccsc1CCC(=O)NCc1cccnc1-c1ccsc1
InChIInChI=1S/C18H18N2OS2/c1-13-6-10-23-16(13)4-5-17(21)20-11-14-3-2-8-19-18(14)15-7-9-22-12-15/h2-3,6-10,12H,4-5,11H2,1H3,(H,20,21)
InChIKeyYNQLWVJFWDDTTO-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 91630266
4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 121177843
2-(4-propan-2-ylphenoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 121177656
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166
2-naphthalen-2-yloxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 121177728
3-[(4-tert-butylphenyl)sulfonylamino]-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide
CID 121177686
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 121177628
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 122246956
1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 91630267
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191
2-indol-1-yl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 91630228

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide (CID 121177697) is 3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide is Cc1ccsc1CCC(=O)NCc1cccnc1-c1ccsc1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is YNQLWVJFWDDTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-13-6-10-23-16(13)4-5-17(21)20-11-14-3-2-8-19-18(14)15-7-9-22-12-15/h2-3,6-10,12H,4-5,11H2,1H3,(H,20,21).
What are the key properties of 3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide?
3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 342.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 121177697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).