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

C17H19NO4S — CID 20859632

IUPAC[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)o1
InChIInChI=1S/C17H19NO4S/c1-13-6-2-3-7-16(13)23(20,21)12-14-8-9-15(22-14)17(19)18-10-4-5-11-18/h2-3,6-9H,4-5,10-12H2,1H3
InChIKeySUUIUSTWNBJTRW-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.80
Rot. Bonds4

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

[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 20859632) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is [5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID20859632
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)o1
InChIInChI=1S/C17H19NO4S/c1-13-6-2-3-7-16(13)23(20,21)12-14-8-9-15(22-14)17(19)18-10-4-5-11-18/h2-3,6-9H,4-5,10-12H2,1H3
InChIKeySUUIUSTWNBJTRW-UHFFFAOYSA-N
XLogP2.80
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-[(2-methylphenyl)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

azepan-1-yl-[5-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 4790235
[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 5307714
[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5308528
5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 3240515
[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 3593666
[5-(benzenesulfonylmethyl)furan-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3242171
[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 60634727
5-[(2-bromophenyl)sulfonylmethyl]furan-2-carboxylic acid
CID 43345210
N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859676
[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5307553
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 1084341
(4-ethylpiperazin-1-yl)-[5-[(4-methylphenyl)methylsulfonylmethyl]furan-2-yl]methanone
CID 3312985

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone (CID 20859632) is [5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone is Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)o1.
What is the InChIKey of [5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is SUUIUSTWNBJTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-6-2-3-7-16(13)23(20,21)12-14-8-9-15(22-14)17(19)18-10-4-5-11-18/h2-3,6-9H,4-5,10-12H2,1H3.
What are the key properties of [5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone?
[5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 333.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylphenyl)sulfonylmethyl]furan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 20859632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).