4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione

C24H24ClNO4S — CID 157060395

IUPAC4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione
SMILESCc1ccc(CCC(=O)CCc2scc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1Cl
InChIInChI=1S/C24H24ClNO4S/c1-14-2-3-15(10-20(14)25)4-5-16(27)7-9-23-18-12-26(24(30)19(18)13-31-23)21-8-6-17(28)11-22(21)29/h2-3,10,13,21H,4-9,11-12H2,1H3
InChIKeyABGPSCMSEBMLTL-UHFFFAOYSA-N
MW457.98 g/mol
LogP4.49
Rot. Bonds7

About 4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione

4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione (PubChem CID 157060395) has the molecular formula C24H24ClNO4S and a molecular weight of 457.98 g/mol. Its IUPAC name is 4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione.

Molecular Properties

Compound Name4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione
PubChem CID157060395
Molecular FormulaC24H24ClNO4S
Molecular Weight457.98 g/mol
Exact Mass457.11
IUPAC Name4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione
SMILESCc1ccc(CCC(=O)CCc2scc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1Cl
InChIInChI=1S/C24H24ClNO4S/c1-14-2-3-15(10-20(14)25)4-5-16(27)7-9-23-18-12-26(24(30)19(18)13-31-23)21-8-6-17(28)11-22(21)29/h2-3,10,13,21H,4-9,11-12H2,1H3
InChIKeyABGPSCMSEBMLTL-UHFFFAOYSA-N
XLogP4.49
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-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

3-[3-[6-(3-chloro-4-methylphenyl)-3-oxohexyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione;3-[3-[4-(4,5-dimethylpyrimidin-2-yl)-3-oxobutyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 167616967
5-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-2-(2,4-dioxocyclohexyl)isoindole-1,3-dione
CID 147267948
3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one
CID 157133290
3-[3-[5-(2,6-dichlorophenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 167632308
1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-2,4-dioxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-3-yl]methyl]urea
CID 165071740
4-[3-oxo-6-(3-oxo-4-phenylbutyl)-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 58079373
4-[6-[4-(3,4-dimethoxyphenyl)-3-oxobutyl]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 157163925
4-[6-[3-(4-methylsulfonylphenyl)-3-oxopropyl]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione
CID 157173476
3-[4-(5-chloro-2,4-dimethylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;1-(3-chloro-4-methylphenyl)-3-[[5-(2,4-dioxocyclohexyl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-(3-chloro-4-methylphenyl)-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methyl]urea;3-[4-(3-chloro-4-methylphenyl)-3-oxobutyl]-5-[(1S)-4-methylidene-2-oxocycloheptyl]-4H-thieno[3,4-c]pyrrol-6-one;5-[(1S)-4-methylidene-2-oxocycloheptyl]-3-[4-(4-methyl-3-propan-2-ylphenyl)-3-oxobutyl]-4H-thieno[3,4-c]pyrrol-6-one;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-(6-methyl-3-pyridinyl)propanamide;3-[5-[(1S)-4-methylidene-2-oxocycloheptyl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]propanamide
CID 157133283
1-[[5-(4-methylidene-2-oxocyclohexyl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 158245575
1-[(3-chloro-4-methylphenyl)methyl]-3-[[5-(2,7-dioxoazepan-3-yl)-6-methylidene-4H-thieno[3,4-c]pyrrol-3-yl]methyl]urea
CID 158675179
1-(3-chloro-4-methylphenyl)-3-[[2-(2,4-dioxocycloheptyl)-1-oxo-3H-isoindol-5-yl]methyl]thiourea
CID 157208119

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione?
The IUPAC name of 4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione (CID 157060395) is 4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione.
What is the SMILES notation for 4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione?
The canonical SMILES for 4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione is Cc1ccc(CCC(=O)CCc2scc3c2CN(C2CCC(=O)CC2=O)C3=O)cc1Cl.
What is the InChIKey of 4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione?
The InChIKey is ABGPSCMSEBMLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO4S/c1-14-2-3-15(10-20(14)25)4-5-16(27)7-9-23-18-12-26(24(30)19(18)13-31-23)21-8-6-17(28)11-22(21)29/h2-3,10,13,21H,4-9,11-12H2,1H3.
What are the key properties of 4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione?
4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione has a molecular weight of 457.98 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(3-chloro-4-methylphenyl)-3-oxopentyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 157060395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).