[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

C21H25NO3S — CID 10429315

IUPAC[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(C2CCN(C(=O)c3cccs3)C2)cc1OC1CCCC1
InChIInChI=1S/C21H25NO3S/c1-24-18-9-8-15(13-19(18)25-17-5-2-3-6-17)16-10-11-22(14-16)21(23)20-7-4-12-26-20/h4,7-9,12-13,16-17H,2-3,5-6,10-11,14H2,1H3
InChIKeyRYRJQCVOJFPZTR-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.71
Rot. Bonds5

About [3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 10429315) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is [3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID10429315
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC Name[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(C2CCN(C(=O)c3cccs3)C2)cc1OC1CCCC1
InChIInChI=1S/C21H25NO3S/c1-24-18-9-8-15(13-19(18)25-17-5-2-3-6-17)16-10-11-22(14-16)21(23)20-7-4-12-26-20/h4,7-9,12-13,16-17H,2-3,5-6,10-11,14H2,1H3
InChIKeyRYRJQCVOJFPZTR-UHFFFAOYSA-N
XLogP4.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
N-(2-aminoethyl)-N-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 11675630
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(3-methylthiophen-2-yl)methanone
CID 1954203
N-[1-(3,4-diethoxyphenyl)ethyl]-2-thiophenecarboxamide
CID 5013707
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 18111967
N-[2-(3,4-diethoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 8106251
(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)(thiophen-2-yl)methanone
CID 666794
6,7-Dimethoxy-1-methyl-2-(2-thienylcarbonyl)-1,2,3,4-tetrahydroisoquinoline
CID 2812727
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343
[3-(3-Cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-phenylmethanone
CID 9976104
[2-([2,2'']Bithiophenyl-5-ylmethoxy)-3-methoxy-phenyl]-pyrrolidin-1-yl-methanone
CID 44402530

Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 10429315) is [3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is COc1ccc(C2CCN(C(=O)c3cccs3)C2)cc1OC1CCCC1.
What is the InChIKey of [3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is RYRJQCVOJFPZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-24-18-9-8-15(13-19(18)25-17-5-2-3-6-17)16-10-11-22(14-16)21(23)20-7-4-12-26-20/h4,7-9,12-13,16-17H,2-3,5-6,10-11,14H2,1H3.
What are the key properties of [3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 371.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 10429315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).