N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide

C17H20N2OS2 — CID 3811032

IUPACN-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)s1
InChIInChI=1S/C17H20N2OS2/c1-21-16-8-7-15(22-16)17(20)18-14-9-10-19(12-14)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,18,20)
InChIKeyWCJUGEGHWAARTC-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.47
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide

N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide (PubChem CID 3811032) has the molecular formula C17H20N2OS2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide
PubChem CID3811032
Molecular FormulaC17H20N2OS2
Molecular Weight332.49 g/mol
Exact Mass332.10
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide
SMILESCSc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)s1
InChIInChI=1S/C17H20N2OS2/c1-21-16-8-7-15(22-16)17(20)18-14-9-10-19(12-14)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,18,20)
InChIKeyWCJUGEGHWAARTC-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 171352035
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide
CID 106853183
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
CID 94020513
N-(1-benzylpiperidin-4-yl)-5-[4-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 117081019

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide (CID 3811032) is N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide is CSc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)s1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide?
The InChIKey is WCJUGEGHWAARTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS2/c1-21-16-8-7-15(22-16)17(20)18-14-9-10-19(12-14)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,18,20).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide?
N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 3811032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).