N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide

C17H22N4O2S — CID 129369286

IUPACN-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCCOc1nccnc1N1CC[C@H](N(C)C(=O)Cc2ccsc2)C1
InChIInChI=1S/C17H22N4O2S/c1-3-23-17-16(18-6-7-19-17)21-8-4-14(11-21)20(2)15(22)10-13-5-9-24-12-13/h5-7,9,12,14H,3-4,8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyUOCQUBHFYATMEX-AWEZNQCLSA-N
MW346.46 g/mol
LogP2.22
Rot. Bonds6

About N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide

N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 129369286) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID129369286
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCCOc1nccnc1N1CC[C@H](N(C)C(=O)Cc2ccsc2)C1
InChIInChI=1S/C17H22N4O2S/c1-3-23-17-16(18-6-7-19-17)21-8-4-14(11-21)20(2)15(22)10-13-5-9-24-12-13/h5-7,9,12,14H,3-4,8,10-11H2,1-2H3/t14-/m0/s1
InChIKeyUOCQUBHFYATMEX-AWEZNQCLSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide (CID 129369286) is N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide is CCOc1nccnc1N1CC[C@H](N(C)C(=O)Cc2ccsc2)C1.
What is the InChIKey of N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is UOCQUBHFYATMEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-3-23-17-16(18-6-7-19-17)21-8-4-14(11-21)20(2)15(22)10-13-5-9-24-12-13/h5-7,9,12,14H,3-4,8,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide?
N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 346.46 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 129369286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).