[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone

C17H19NO5S — CID 5307714

IUPAC[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C17H19NO5S/c1-22-13-4-7-15(8-5-13)24(20,21)12-14-6-9-16(23-14)17(19)18-10-2-3-11-18/h4-9H,2-3,10-12H2,1H3
InChIKeyQPAWGZIHMIOEBW-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.50
Rot. Bonds5

About [5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone

[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 5307714) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is [5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID5307714
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C17H19NO5S/c1-22-13-4-7-15(8-5-13)24(20,21)12-14-6-9-16(23-14)17(19)18-10-2-3-11-18/h4-9H,2-3,10-12H2,1H3
InChIKeyQPAWGZIHMIOEBW-UHFFFAOYSA-N
XLogP2.50
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]methanone
CID 3593870
azepan-1-yl-[5-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 4790235
[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573978
[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 20859632
[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5307553
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42280815
5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3593665
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(piperidin-1-ylmethyl)furan-2-yl]methanone
CID 35333195
[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5308528
[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 3593661
[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3242171

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone (CID 5307714) is [5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone is COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1.
What is the InChIKey of [5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QPAWGZIHMIOEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-13-4-7-15(8-5-13)24(20,21)12-14-6-9-16(23-14)17(19)18-10-2-3-11-18/h4-9H,2-3,10-12H2,1H3.
What are the key properties of [5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 349.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 5307714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).