2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide

C18H20N2O2S — CID 99953701

IUPAC2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide
SMILESCC(=O)c1cc(CC(=O)N[C@@H](c2cc(C)ccn2)C2CC2)cs1
InChIInChI=1S/C18H20N2O2S/c1-11-5-6-19-15(7-11)18(14-3-4-14)20-17(22)9-13-8-16(12(2)21)23-10-13/h5-8,10,14,18H,3-4,9H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyFSDRPVGTOOZUQC-GOSISDBHSA-N
MW328.44 g/mol
LogP3.46
Rot. Bonds6

About 2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide

2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 99953701) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide
PubChem CID99953701
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide
SMILESCC(=O)c1cc(CC(=O)N[C@@H](c2cc(C)ccn2)C2CC2)cs1
InChIInChI=1S/C18H20N2O2S/c1-11-5-6-19-15(7-11)18(14-3-4-14)20-17(22)9-13-8-16(12(2)21)23-10-13/h5-8,10,14,18H,3-4,9H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKeyFSDRPVGTOOZUQC-GOSISDBHSA-N
XLogP3.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide (CID 99953701) is 2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide is CC(=O)c1cc(CC(=O)N[C@@H](c2cc(C)ccn2)C2CC2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide?
The InChIKey is FSDRPVGTOOZUQC-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-11-5-6-19-15(7-11)18(14-3-4-14)20-17(22)9-13-8-16(12(2)21)23-10-13/h5-8,10,14,18H,3-4,9H2,1-2H3,(H,20,22)/t18-/m1/s1.
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide?
2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 328.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 99953701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).