N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide

C22H29N3O3S — CID 24613844

IUPACN-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CN1CCCC1c1cccc(OC)c1
InChIInChI=1S/C22H29N3O3S/c1-3-24(15-21(26)23-14-19-9-6-12-29-19)22(27)16-25-11-5-10-20(25)17-7-4-8-18(13-17)28-2/h4,6-9,12-13,20H,3,5,10-11,14-16H2,1-2H3,(H,23,26)
InChIKeyYXCBXRCWRJDKBD-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.06
Rot. Bonds9

About N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide

N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide (PubChem CID 24613844) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
PubChem CID24613844
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CN1CCCC1c1cccc(OC)c1
InChIInChI=1S/C22H29N3O3S/c1-3-24(15-21(26)23-14-19-9-6-12-29-19)22(27)16-25-11-5-10-20(25)17-7-4-8-18(13-17)28-2/h4,6-9,12-13,20H,3,5,10-11,14-16H2,1-2H3,(H,23,26)
InChIKeyYXCBXRCWRJDKBD-UHFFFAOYSA-N
XLogP3.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide (CID 24613844) is N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide is CCN(CC(=O)NCc1cccs1)C(=O)CN1CCCC1c1cccc(OC)c1.
What is the InChIKey of N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The InChIKey is YXCBXRCWRJDKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-24(15-21(26)23-14-19-9-6-12-29-19)22(27)16-25-11-5-10-20(25)17-7-4-8-18(13-17)28-2/h4,6-9,12-13,20H,3,5,10-11,14-16H2,1-2H3,(H,23,26).
What are the key properties of N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 24613844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).