1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine

C20H21NO2S2 — CID 57343324

IUPAC1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine
SMILESC=C(C)C1CN(S(=O)(=O)c2ccc(C)cc2)CC1=C=Cc1cccs1
InChIInChI=1S/C20H21NO2S2/c1-15(2)20-14-21(13-17(20)8-9-18-5-4-12-24-18)25(22,23)19-10-6-16(3)7-11-19/h4-7,9-12,20H,1,13-14H2,2-3H3
InChIKeyHCJVWHDHLZYFBK-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.49
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine

1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine (PubChem CID 57343324) has the molecular formula C20H21NO2S2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine
PubChem CID57343324
Molecular FormulaC20H21NO2S2
Molecular Weight371.53 g/mol
Exact Mass371.10
IUPAC Name1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine
SMILESC=C(C)C1CN(S(=O)(=O)c2ccc(C)cc2)CC1=C=Cc1cccs1
InChIInChI=1S/C20H21NO2S2/c1-15(2)20-14-21(13-17(20)8-9-18-5-4-12-24-18)25(22,23)19-10-6-16(3)7-11-19/h4-7,9-12,20H,1,13-14H2,2-3H3
InChIKeyHCJVWHDHLZYFBK-UHFFFAOYSA-N
XLogP4.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-Methylpropyl)-N-({5-[4-(Methylsulfonyl)phenyl]thiophen-2-Yl}methyl)-1-Phenylmethanesulfonamide
CID 77620538
4-Methyl-N-[2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 711102
4-Phenyl-1-(3-thienylsulfonyl)-1,2,3,6-tetrahydropyridine
CID 2738369
4-[4-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261823
4-cyano-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519186
N-(2-cyanoethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519191
4-Benzyl-1-(2-thienylsulfonyl)piperidine
CID 674994
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
1-[(4-Methylphenyl)sulfonyl]-4-(3-thienylmethyl)piperazine
CID 777589
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide
CID 1817801
1-(4-Methylphenyl)sulfonyl-4-thiophen-2-ylpiperidine-4-carbonitrile
CID 134105500

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine (CID 57343324) is 1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine is C=C(C)C1CN(S(=O)(=O)c2ccc(C)cc2)CC1=C=Cc1cccs1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine?
The InChIKey is HCJVWHDHLZYFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S2/c1-15(2)20-14-21(13-17(20)8-9-18-5-4-12-24-18)25(22,23)19-10-6-16(3)7-11-19/h4-7,9-12,20H,1,13-14H2,2-3H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine?
1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine has a molecular weight of 371.53 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-4-(2-thiophen-2-ylethenylidene)pyrrolidine is sourced from PubChem (CID 57343324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).