1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine

C22H23NO2S3 — CID 159517502

IUPAC1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine
SMILESCCc1ccc(Sc2cccc(S(=O)(=O)N3CCCC3c3ccccc3)c2)s1
InChIInChI=1S/C22H23NO2S3/c1-2-18-13-14-22(26-18)27-19-10-6-11-20(16-19)28(24,25)23-15-7-12-21(23)17-8-4-3-5-9-17/h3-6,8-11,13-14,16,21H,2,7,12,15H2,1H3
InChIKeyBAHIMQKYQMKUAP-UHFFFAOYSA-N
MW429.63 g/mol
LogP5.99
Rot. Bonds6

About 1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine

1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine (PubChem CID 159517502) has the molecular formula C22H23NO2S3 and a molecular weight of 429.63 g/mol. Its IUPAC name is 1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine.

Molecular Properties

Compound Name1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine
PubChem CID159517502
Molecular FormulaC22H23NO2S3
Molecular Weight429.63 g/mol
Exact Mass429.09
IUPAC Name1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine
SMILESCCc1ccc(Sc2cccc(S(=O)(=O)N3CCCC3c3ccccc3)c2)s1
InChIInChI=1S/C22H23NO2S3/c1-2-18-13-14-22(26-18)27-19-10-6-11-20(16-19)28(24,25)23-15-7-12-21(23)17-8-4-3-5-9-17/h3-6,8-11,13-14,16,21H,2,7,12,15H2,1H3
InChIKeyBAHIMQKYQMKUAP-UHFFFAOYSA-N
XLogP5.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.63
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine 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

3-bromobenzenesulfonyl chloride;2-bromo-5-ethylthiophene;1-(3-bromophenyl)sulfonyl-2-phenylpyrrolidine;cyclopentylbenzene;2-ethylhexyl 3-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfanylpropanoate;1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine;[5-[3-(2-phenylpyrrolidin-1-yl)sulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 159517501
1-(4-bromo-3-methylphenyl)sulfonyl-2-phenylpyrrolidine
CID 138991943
5-[3-[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]sulfonylphenyl]sulfanylthiophene-2-carbonitrile
CID 130345187
5-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894119
3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 30287737
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342
4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 60727492
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 17490293
3-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893943
3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893944

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine?
The IUPAC name of 1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine (CID 159517502) is 1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine.
What is the SMILES notation for 1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine?
The canonical SMILES for 1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine is CCc1ccc(Sc2cccc(S(=O)(=O)N3CCCC3c3ccccc3)c2)s1.
What is the InChIKey of 1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine?
The InChIKey is BAHIMQKYQMKUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S3/c1-2-18-13-14-22(26-18)27-19-10-6-11-20(16-19)28(24,25)23-15-7-12-21(23)17-8-4-3-5-9-17/h3-6,8-11,13-14,16,21H,2,7,12,15H2,1H3.
What are the key properties of 1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine?
1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine has a molecular weight of 429.63 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-ethylthiophen-2-yl)sulfanylphenyl]sulfonyl-2-phenylpyrrolidine is sourced from PubChem (CID 159517502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).