(2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine

C31H29NO2S — CID 102272903

IUPAC(2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccccc3)(c3ccccc3)/C2=C\Cc2ccccc2)cc1
InChIInChI=1S/C31H29NO2S/c1-25-17-20-29(21-18-25)35(33,34)32-24-23-31(27-13-7-3-8-14-27,28-15-9-4-10-16-28)30(32)22-19-26-11-5-2-6-12-26/h2-18,20-22H,19,23-24H2,1H3/b30-22+
InChIKeyGYVDCGZAEADYCB-JBASAIQMSA-N
MW479.65 g/mol
LogP6.50
Rot. Bonds6

About (2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine

(2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine (PubChem CID 102272903) has the molecular formula C31H29NO2S and a molecular weight of 479.65 g/mol. Its IUPAC name is (2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine.

Molecular Properties

Compound Name(2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine
PubChem CID102272903
Molecular FormulaC31H29NO2S
Molecular Weight479.65 g/mol
Exact Mass479.19
IUPAC Name(2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccccc3)(c3ccccc3)/C2=C\Cc2ccccc2)cc1
InChIInChI=1S/C31H29NO2S/c1-25-17-20-29(21-18-25)35(33,34)32-24-23-31(27-13-7-3-8-14-27,28-15-9-4-10-16-28)30(32)22-19-26-11-5-2-6-12-26/h2-18,20-22H,19,23-24H2,1H3/b30-22+
InChIKeyGYVDCGZAEADYCB-JBASAIQMSA-N
XLogP6.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.65
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine 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

4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897
4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine
CID 3030557
(2Z)-2-[(3R)-1-[(4-methoxyphenyl)methyl]-1'-(4-methylphenyl)sulfonylspiro[2H-indole-3,3'-pyrrolidine]-2'-ylidene]acetaldehyde
CID 132603413
2-benzyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
CID 102221375
(2E)-2-[4,4-difluoro-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-ylidene]acetic acid
CID 18324689
5-ethyl-1-(4-methylphenyl)sulfonyl-3,3-diphenylpyrrolidin-2-one
CID 134958502
1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride
CID 18532110
4-butyl-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1-benzazepine-4-carbaldehyde
CID 89013137
2,4,4-trimethyl-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine
CID 164678390
1-(4-methylphenyl)sulfonylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-2'-one
CID 24963901
4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol
CID 164665252
1-(4-methylphenyl)sulfonyl-4-(4-oxobutyl)-3,5-dihydro-2H-1-benzazepine-4-carbaldehyde
CID 89013987

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine?
The IUPAC name of (2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine (CID 102272903) is (2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine.
What is the SMILES notation for (2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine?
The canonical SMILES for (2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine is Cc1ccc(S(=O)(=O)N2CCC(c3ccccc3)(c3ccccc3)/C2=C\Cc2ccccc2)cc1.
What is the InChIKey of (2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine?
The InChIKey is GYVDCGZAEADYCB-JBASAIQMSA-N. The full InChI is InChI=1S/C31H29NO2S/c1-25-17-20-29(21-18-25)35(33,34)32-24-23-31(27-13-7-3-8-14-27,28-15-9-4-10-16-28)30(32)22-19-26-11-5-2-6-12-26/h2-18,20-22H,19,23-24H2,1H3/b30-22+.
What are the key properties of (2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine?
(2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine has a molecular weight of 479.65 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2-(2-phenylethylidene)pyrrolidine is sourced from PubChem (CID 102272903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).