N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide

C16H27N3OS — CID 119849788

IUPACN-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide
SMILESCCN(CC)C(CNC(=O)CC1CCCN1)c1ccsc1
InChIInChI=1S/C16H27N3OS/c1-3-19(4-2)15(13-7-9-21-12-13)11-18-16(20)10-14-6-5-8-17-14/h7,9,12,14-15,17H,3-6,8,10-11H2,1-2H3,(H,18,20)
InChIKeyUWPAPBBNPAYYNM-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.39
Rot. Bonds8

About N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119849788) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119849788
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide
SMILESCCN(CC)C(CNC(=O)CC1CCCN1)c1ccsc1
InChIInChI=1S/C16H27N3OS/c1-3-19(4-2)15(13-7-9-21-12-13)11-18-16(20)10-14-6-5-8-17-14/h7,9,12,14-15,17H,3-6,8,10-11H2,1-2H3,(H,18,20)
InChIKeyUWPAPBBNPAYYNM-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 61365271
N-[2-(diethylamino)-4-methylpentyl]-2-pyrrolidin-2-ylacetamide
CID 119842297
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea
CID 110933262
2-pyrrolidin-2-yl-N-thiophen-3-ylacetamide;hydrochloride
CID 119788965
1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 119849782
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119831071
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 46434571
N-[2-(2-methylpropylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 112701818
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729
N-(2,3-diphenylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119803974
N-[2-[benzyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119885733
2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 62669553

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide (CID 119849788) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide is CCN(CC)C(CNC(=O)CC1CCCN1)c1ccsc1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is UWPAPBBNPAYYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-3-19(4-2)15(13-7-9-21-12-13)11-18-16(20)10-14-6-5-8-17-14/h7,9,12,14-15,17H,3-6,8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 309.48 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119849788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).