N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C14H19N3O3S — CID 51895567

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCN(C)[C@H](CNC(=O)CN1C(=O)CCC1=O)c1cccs1
InChIInChI=1S/C14H19N3O3S/c1-16(2)10(11-4-3-7-21-11)8-15-12(18)9-17-13(19)5-6-14(17)20/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyJIDDAHKPJVFQEO-SNVBAGLBSA-N
MW309.39 g/mol
LogP0.62
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 51895567) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID51895567
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCN(C)[C@H](CNC(=O)CN1C(=O)CCC1=O)c1cccs1
InChIInChI=1S/C14H19N3O3S/c1-16(2)10(11-4-3-7-21-11)8-15-12(18)9-17-13(19)5-6-14(17)20/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,18)/t10-/m1/s1
InChIKeyJIDDAHKPJVFQEO-SNVBAGLBSA-N
XLogP0.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8504380
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112503947
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 55331657
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911
2-cyclohexyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 46522897
2-[1-(aminomethyl)cyclobutyl]-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 81172882
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methylindol-1-yl)acetamide
CID 46522919
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 51895567) is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is CN(C)[C@H](CNC(=O)CN1C(=O)CCC1=O)c1cccs1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is JIDDAHKPJVFQEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-16(2)10(11-4-3-7-21-11)8-15-12(18)9-17-13(19)5-6-14(17)20/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,18)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 309.39 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 51895567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).