[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone

C17H19NO3S — CID 19499165

IUPAC[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(OCc2csc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C17H19NO3S/c1-20-14-4-6-15(7-5-14)21-11-13-10-16(22-12-13)17(19)18-8-2-3-9-18/h4-7,10,12H,2-3,8-9,11H2,1H3
InChIKeyRWVAHTMTYNIVTA-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.57
Rot. Bonds5

About [4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone

[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 19499165) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is [4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID19499165
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(OCc2csc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C17H19NO3S/c1-20-14-4-6-15(7-5-14)21-11-13-10-16(22-12-13)17(19)18-8-2-3-9-18/h4-7,10,12H,2-3,8-9,11H2,1H3
InChIKeyRWVAHTMTYNIVTA-UHFFFAOYSA-N
XLogP3.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]methanone
CID 19502970
azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19486924
azepan-1-yl-[4-[(2,5-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19471561
(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
[4-[4-[(4-fluorophenoxy)methyl]thiophene-2-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 19469589
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499174
N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499225
(4-benzylpiperazin-1-yl)-[4-(phenoxymethyl)thiophen-2-yl]methanone
CID 19490824
[4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19486517
ethyl 1-[4-(naphthalen-2-yloxymethyl)thiophene-2-carbonyl]piperidine-4-carboxylate
CID 19498976
[4-[(3-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19505248
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3-methoxyphenoxy)methyl]thiophen-2-yl]methanone
CID 19500961

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone (CID 19499165) is [4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone is COc1ccc(OCc2csc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of [4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RWVAHTMTYNIVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-20-14-4-6-15(7-5-14)21-11-13-10-16(22-12-13)17(19)18-8-2-3-9-18/h4-7,10,12H,2-3,8-9,11H2,1H3.
What are the key properties of [4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 317.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 19499165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).