N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide

C18H21ClN2OS — CID 55928878

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C18H21ClN2OS/c1-12-6-3-4-7-14(12)15-8-5-11-21(15)18(22)20-13(2)16-9-10-17(19)23-16/h3-4,6-7,9-10,13,15H,5,8,11H2,1-2H3,(H,20,22)
InChIKeyMVYOMVSIVNUIOB-UHFFFAOYSA-N
MW348.90 g/mol
LogP5.32
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 55928878) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID55928878
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1C1CCCN1C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C18H21ClN2OS/c1-12-6-3-4-7-14(12)15-8-5-11-21(15)18(22)20-13(2)16-9-10-17(19)23-16/h3-4,6-7,9-10,13,15H,5,8,11H2,1-2H3,(H,20,22)
InChIKeyMVYOMVSIVNUIOB-UHFFFAOYSA-N
XLogP5.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.90
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
(2S)-2-(2-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 93076875
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
3-chloro-2-methyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 62727967
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
2-(2-methylphenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide
CID 112838644
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
(2S)-1-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61470725
(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide
CID 94867549
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 55929291
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide (CID 55928878) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccccc1C1CCCN1C(=O)NC(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is MVYOMVSIVNUIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-12-6-3-4-7-14(12)15-8-5-11-21(15)18(22)20-13(2)16-9-10-17(19)23-16/h3-4,6-7,9-10,13,15H,5,8,11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 348.90 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 55928878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).