(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide

C15H23N3O2S — CID 94172389

IUPAC(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)[C@H]1CCC(=O)N1)c1ccsc1
InChIInChI=1S/C15H23N3O2S/c1-3-18(4-2)13(11-7-8-21-10-11)9-16-15(20)12-5-6-14(19)17-12/h7-8,10,12-13H,3-6,9H2,1-2H3,(H,16,20)(H,17,19)/t12-,13-/m1/s1
InChIKeyDOWNRQZWHZMQTQ-CHWSQXEVSA-N
MW309.44 g/mol
LogP1.53
Rot. Bonds7

About (2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 94172389) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID94172389
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)[C@H]1CCC(=O)N1)c1ccsc1
InChIInChI=1S/C15H23N3O2S/c1-3-18(4-2)13(11-7-8-21-10-11)9-16-15(20)12-5-6-14(19)17-12/h7-8,10,12-13H,3-6,9H2,1-2H3,(H,16,20)(H,17,19)/t12-,13-/m1/s1
InChIKeyDOWNRQZWHZMQTQ-CHWSQXEVSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 46434571
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 119849788
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60510595
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55660182
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134
1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 119849782
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95132102
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39209124
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39208165
N-(2-aminobutyl)-5-oxopyrrolidine-2-carboxamide
CID 63731996
ethyl 1-[N-[2-(diethylamino)-2-thiophen-3-ylethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157021
N-(2,2-dimethoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110462101

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide (CID 94172389) is (2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide is CCN(CC)[C@H](CNC(=O)[C@H]1CCC(=O)N1)c1ccsc1.
What is the InChIKey of (2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DOWNRQZWHZMQTQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-18(4-2)13(11-7-8-21-10-11)9-16-15(20)12-5-6-14(19)17-12/h7-8,10,12-13H,3-6,9H2,1-2H3,(H,16,20)(H,17,19)/t12-,13-/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 94172389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).