[4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone

C25H28N2O4S — CID 3240980

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)o2)cc1
InChIInChI=1S/C25H28N2O4S/c1-18-5-9-22(10-6-18)32(29,30)17-21-8-11-24(31-21)25(28)27-14-12-26(13-15-27)23-16-19(2)4-7-20(23)3/h4-11,16H,12-15,17H2,1-3H3
InChIKeyMNHKLQNQUCTFBF-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.14
Rot. Bonds5

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone (PubChem CID 3240980) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone
PubChem CID3240980
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone
SMILESCc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)o2)cc1
InChIInChI=1S/C25H28N2O4S/c1-18-5-9-22(10-6-18)32(29,30)17-21-8-11-24(31-21)25(28)27-14-12-26(13-15-27)23-16-19(2)4-7-20(23)3/h4-11,16H,12-15,17H2,1-3H3
InChIKeyMNHKLQNQUCTFBF-UHFFFAOYSA-N
XLogP4.14
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone 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

3,4-dihydro-1H-isoquinolin-2-yl-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone
CID 6619504
1-(3-Methoxyphenyl)-4-{5-[(4-methylbenzenesulfinyl)methyl]furan-2-carbonyl}piperazine
CID 22554723
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118078985
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]propan-1-one
CID 118079032
cyclopropyl-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 118080085
methyl (2S)-4-(furan-2-carbonyl)-2-methyl-6-(4-methylsulfonylphenyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 118317783
4-({2-[4-(2-furoyl)piperazin-1-yl]-2-oxoethyl}thio)-1-methylquinolin-2(1H)-one
CID 3236948
1-Acetyl-5-({3-[4-(2-furoyl)piperazin-1-yl]-3-oxopropyl}sulfonyl)indoline
CID 3239861
1-(2-Methoxyphenyl)-4-(5-{[(2-methoxyphenyl)sulfonyl]methyl}-2-furoyl)piperazine
CID 3240917
1-(2,3-Dimethylphenyl)-4-(5-{[(2-methylphenyl)sulfonyl]methyl}-2-furoyl)piperazine
CID 3241476
2-Methyl-1-(3-methylphenyl)-4-(5-{[(2-methylphenyl)sulfonyl]methyl}-2-furoyl)piperazine
CID 3245546
[4-(2,3-Dimethylphenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furanyl]methanone
CID 4092553

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone (CID 3240980) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone is Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)o2)cc1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone?
The InChIKey is MNHKLQNQUCTFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-18-5-9-22(10-6-18)32(29,30)17-21-8-11-24(31-21)25(28)27-14-12-26(13-15-27)23-16-19(2)4-7-20(23)3/h4-11,16H,12-15,17H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone has a molecular weight of 452.58 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]methanone is sourced from PubChem (CID 3240980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).