2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide

C16H26N2O5S — CID 86283501

IUPAC2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide
SMILESCCOCC(=O)N[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1c1ccc(C)o1
InChIInChI=1S/C16H26N2O5S/c1-4-22-11-16(19)17-14-10-18(7-8-24(3,20)21)9-13(14)15-6-5-12(2)23-15/h5-6,13-14H,4,7-11H2,1-3H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyZNFNUZCOLQIQFL-KBPBESRZSA-N
MW358.46 g/mol
LogP0.55
Rot. Bonds8

About 2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide

2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 86283501) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide
PubChem CID86283501
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC Name2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide
SMILESCCOCC(=O)N[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1c1ccc(C)o1
InChIInChI=1S/C16H26N2O5S/c1-4-22-11-16(19)17-14-10-18(7-8-24(3,20)21)9-13(14)15-6-5-12(2)23-15/h5-6,13-14H,4,7-11H2,1-3H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyZNFNUZCOLQIQFL-KBPBESRZSA-N
XLogP0.55
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide (CID 86283501) is 2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide is CCOCC(=O)N[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1c1ccc(C)o1.
What is the InChIKey of 2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is ZNFNUZCOLQIQFL-KBPBESRZSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-4-22-11-16(19)17-14-10-18(7-8-24(3,20)21)9-13(14)15-6-5-12(2)23-15/h5-6,13-14H,4,7-11H2,1-3H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of 2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide?
2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 358.46 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3R,4S)-4-(5-methylfuran-2-yl)-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 86283501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).