N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C20H25N3O2S — CID 4786487

IUPACN-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCN1C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C20H25N3O2S/c1-22(2)17(15-8-4-3-5-9-15)14-21-19(24)16-10-6-12-23(16)20(25)18-11-7-13-26-18/h3-5,7-9,11,13,16-17H,6,10,12,14H2,1-2H3,(H,21,24)
InChIKeyHRAXEXKPCYJWMX-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 4786487) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID4786487
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCN1C(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C20H25N3O2S/c1-22(2)17(15-8-4-3-5-9-15)14-21-19(24)16-10-6-12-23(16)20(25)18-11-7-13-26-18/h3-5,7-9,11,13,16-17H,6,10,12,14H2,1-2H3,(H,21,24)
InChIKeyHRAXEXKPCYJWMX-UHFFFAOYSA-N
XLogP2.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 4786487) is N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is CN(C)C(CNC(=O)C1CCCN1C(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HRAXEXKPCYJWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-22(2)17(15-8-4-3-5-9-15)14-21-19(24)16-10-6-12-23(16)20(25)18-11-7-13-26-18/h3-5,7-9,11,13,16-17H,6,10,12,14H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4786487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).