1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one

C17H20N2OS — CID 43103289

IUPAC1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCc1ccc(C(C)Nc2ccccc2N2CCCC2=O)s1
InChIInChI=1S/C17H20N2OS/c1-12-9-10-16(21-12)13(2)18-14-6-3-4-7-15(14)19-11-5-8-17(19)20/h3-4,6-7,9-10,13,18H,5,8,11H2,1-2H3
InChIKeyGGEGDQHNSYOALS-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.36
Rot. Bonds4

About 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one

1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one (PubChem CID 43103289) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
PubChem CID43103289
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
SMILESCc1ccc(C(C)Nc2ccccc2N2CCCC2=O)s1
InChIInChI=1S/C17H20N2OS/c1-12-9-10-16(21-12)13(2)18-14-6-3-4-7-15(14)19-11-5-8-17(19)20/h3-4,6-7,9-10,13,18H,5,8,11H2,1-2H3
InChIKeyGGEGDQHNSYOALS-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(5-bromofuran-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 104652182
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CID 43106173
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
1-[2-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115928567
N-[1-(5-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43102799
2-bromo-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61250864
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 107441227
1-(2-propan-2-ylsulfonylphenyl)pyrrolidin-2-one
CID 166609167
1-[2-(benzylamino)phenyl]pyrrolidin-2-one
CID 28682033
1-[(1S)-2-methyl-1-phenylpropyl]-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 51945595
2-ethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43191741

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one (CID 43103289) is 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one is Cc1ccc(C(C)Nc2ccccc2N2CCCC2=O)s1.
What is the InChIKey of 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one?
The InChIKey is GGEGDQHNSYOALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-9-10-16(21-12)13(2)18-14-6-3-4-7-15(14)19-11-5-8-17(19)20/h3-4,6-7,9-10,13,18H,5,8,11H2,1-2H3.
What are the key properties of 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one?
1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one has a molecular weight of 300.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(5-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43103289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).