N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide

C19H24N2O2S — CID 136511981

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)CC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H24N2O2S/c1-20(19(22)18-10-17(23-2)14-24-18)11-16-8-9-21(13-16)12-15-6-4-3-5-7-15/h3-7,10,14,16H,8-9,11-13H2,1-2H3
InChIKeyHVGRAUDQJXVAJK-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.35
Rot. Bonds6

About N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide

N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 136511981) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
PubChem CID136511981
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCOc1csc(C(=O)N(C)CC2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H24N2O2S/c1-20(19(22)18-10-17(23-2)14-24-18)11-16-8-9-21(13-16)12-15-6-4-3-5-7-15/h3-7,10,14,16H,8-9,11-13H2,1-2H3
InChIKeyHVGRAUDQJXVAJK-UHFFFAOYSA-N
XLogP3.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorocyclobutyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81129766
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
CID 119884965
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97147365
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-5-chloro-N-methylpyrimidine-4-carboxamide
CID 124609847
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119885001
1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119884983
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 11697139

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide (CID 136511981) is N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide is COc1csc(C(=O)N(C)CC2CCN(Cc3ccccc3)C2)c1.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is HVGRAUDQJXVAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-20(19(22)18-10-17(23-2)14-24-18)11-16-8-9-21(13-16)12-15-6-4-3-5-7-15/h3-7,10,14,16H,8-9,11-13H2,1-2H3.
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide?
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 136511981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).