N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide

C14H20N2O2S — CID 95775954

IUPACN-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)C(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C
InChIInChI=1S/C14H20N2O2S/c1-9-6-13(12-4-5-19-8-12)7-16(9)14(18)10(2)15-11(3)17/h4-5,8-10,13H,6-7H2,1-3H3,(H,15,17)/t9-,10+,13-/m0/s1
InChIKeyCJLKOERNCCNEAY-CWSCBRNRSA-N
MW280.39 g/mol
LogP1.98
Rot. Bonds3

About N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide

N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 95775954) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID95775954
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)C(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C
InChIInChI=1S/C14H20N2O2S/c1-9-6-13(12-4-5-19-8-12)7-16(9)14(18)10(2)15-11(3)17/h4-5,8-10,13H,6-7H2,1-3H3,(H,15,17)/t9-,10+,13-/m0/s1
InChIKeyCJLKOERNCCNEAY-CWSCBRNRSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 95775954) is N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@H](C)C(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C.
What is the InChIKey of N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is CJLKOERNCCNEAY-CWSCBRNRSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-6-13(12-4-5-19-8-12)7-16(9)14(18)10(2)15-11(3)17/h4-5,8-10,13H,6-7H2,1-3H3,(H,15,17)/t9-,10+,13-/m0/s1.
What are the key properties of N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 280.39 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2S,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 95775954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).