1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione

C20H18ClNO2S — CID 110572019

IUPAC1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCSC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C20H18ClNO2S/c1-3-25-18-17(14-10-8-13(2)9-11-14)19(23)22(20(18)24)12-15-6-4-5-7-16(15)21/h4-11H,3,12H2,1-2H3
InChIKeyVLMOSYPZKYYUQK-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.68
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione

1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110572019) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110572019
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC Name1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCSC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccccc2Cl)C1=O
InChIInChI=1S/C20H18ClNO2S/c1-3-25-18-17(14-10-8-13(2)9-11-14)19(23)22(20(18)24)12-15-6-4-5-7-16(15)21/h4-11H,3,12H2,1-2H3
InChIKeyVLMOSYPZKYYUQK-UHFFFAOYSA-N
XLogP4.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione 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

1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110572017
1-[(2-chlorophenyl)methyl]-3-(4-chlorophenyl)sulfanyl-4-phenylpyrrole-2,5-dione
CID 110558985
3-(5-chloro-2-methylanilino)-1-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600445
1-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)pyrrole-2,5-dione
CID 110543351
3-benzylsulfanyl-1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572890
3-[bis(2-methoxyethyl)amino]-1-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572010
3-ethylsulfanyl-1-hexyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572963
3-ethylsulfanyl-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110555883
3-(3-chloro-4-methoxyanilino)-1-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110600444
3-ethylsulfanyl-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572748
3-ethylsulfanyl-1-(2-fluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573553
3-benzylsulfanyl-4-(4-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110572267

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110572019) is 1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione is CCSC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccccc2Cl)C1=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is VLMOSYPZKYYUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c1-3-25-18-17(14-10-8-13(2)9-11-14)19(23)22(20(18)24)12-15-6-4-5-7-16(15)21/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione?
1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 371.89 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-ethylsulfanyl-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110572019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).