1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide

C19H22BrN3O2S — CID 46592191

IUPAC1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C(CNC(=O)C1CC(=O)N(c2ccccc2Br)C1)c1ccsc1
InChIInChI=1S/C19H22BrN3O2S/c1-22(2)17(13-7-8-26-12-13)10-21-19(25)14-9-18(24)23(11-14)16-6-4-3-5-15(16)20/h3-8,12,14,17H,9-11H2,1-2H3,(H,21,25)
InChIKeyCRUFCMGLBUJSOK-UHFFFAOYSA-N
MW436.38 g/mol
LogP3.28
Rot. Bonds6

About 1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide

1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46592191) has the molecular formula C19H22BrN3O2S and a molecular weight of 436.38 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46592191
Molecular FormulaC19H22BrN3O2S
Molecular Weight436.38 g/mol
Exact Mass435.06
IUPAC Name1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C(CNC(=O)C1CC(=O)N(c2ccccc2Br)C1)c1ccsc1
InChIInChI=1S/C19H22BrN3O2S/c1-22(2)17(13-7-8-26-12-13)10-21-19(25)14-9-18(24)23(11-14)16-6-4-3-5-15(16)20/h3-8,12,14,17H,9-11H2,1-2H3,(H,21,25)
InChIKeyCRUFCMGLBUJSOK-UHFFFAOYSA-N
XLogP3.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
(3R)-1-benzyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32630812
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
N-(3-amino-2-methylpropyl)-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997783
(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9167623
1-benzyl-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55660221
N-(2-methoxy-2-thiophen-3-ylethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90583950
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576
(3S)-1-(2-bromophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51729548
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
1-(2-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43058988
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55337484

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide (CID 46592191) is 1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide is CN(C)C(CNC(=O)C1CC(=O)N(c2ccccc2Br)C1)c1ccsc1.
What is the InChIKey of 1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CRUFCMGLBUJSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2S/c1-22(2)17(13-7-8-26-12-13)10-21-19(25)14-9-18(24)23(11-14)16-6-4-3-5-15(16)20/h3-8,12,14,17H,9-11H2,1-2H3,(H,21,25).
What are the key properties of 1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 436.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46592191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).