2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide

C17H27N3O2S — CID 134057464

IUPAC2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C17H27N3O2S/c1-17(2,3)16(22)19-12-15(21)18-11-13(14-7-6-10-23-14)20-8-4-5-9-20/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyUHASOEZJCZPIOG-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.16
Rot. Bonds6

About 2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide (PubChem CID 134057464) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide
PubChem CID134057464
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)NCC(c1cccs1)N1CCCC1
InChIInChI=1S/C17H27N3O2S/c1-17(2,3)16(22)19-12-15(21)18-11-13(14-7-6-10-23-14)20-8-4-5-9-20/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyUHASOEZJCZPIOG-UHFFFAOYSA-N
XLogP2.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide with MolForge

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Related Compounds

2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
2-[acetyl(methyl)amino]-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 94091306
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
3-bromo-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]benzamide
CID 55378248
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-tert-butylbenzamide;hydrochloride
CID 52984647
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)but-2-enamide
CID 134057487
3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
CID 134057478
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 35042423
2-phenoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 34949998

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide (CID 134057464) is 2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)NCC(c1cccs1)N1CCCC1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide?
The InChIKey is UHASOEZJCZPIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-17(2,3)16(22)19-12-15(21)18-11-13(14-7-6-10-23-14)20-8-4-5-9-20/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide has a molecular weight of 337.49 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide is sourced from PubChem (CID 134057464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).