(3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C15H18N2O4S — CID 1247035

IUPAC(3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)oc2ccccc12
InChIInChI=1S/C15H18N2O4S/c1-11-12-5-3-4-6-13(12)21-14(11)15(18)16-7-9-17(10-8-16)22(2,19)20/h3-6H,7-10H2,1-2H3
InChIKeyFGQDUJMSPWQUGN-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.46
Rot. Bonds2

About (3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 1247035) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID1247035
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name(3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)oc2ccccc12
InChIInChI=1S/C15H18N2O4S/c1-11-12-5-3-4-6-13(12)21-14(11)15(18)16-7-9-17(10-8-16)22(2,19)20/h3-6H,7-10H2,1-2H3
InChIKeyFGQDUJMSPWQUGN-UHFFFAOYSA-N
XLogP1.46
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-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

CL82198
CID 2777
Befuraline
CID 68664
Befuraline hydrochloride
CID 73346
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
Benzofuran-2-yl(pyrrolidin-1-yl)methanone
CID 977385
2-Benzofuranyl-4-morpholinylmethanone
CID 3819793
1-((3-Methyl-1-benzofuran-2-YL)carbonyl)piperidine
CID 768762
4-{[3-Methyl-5-(pyrrolidin-1-ylsulfonyl)-1-benzofuran-2-yl]carbonyl}morpholine
CID 3239857
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 4883248
(4-Benzylpiperazin-1-yl)(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
CID 1034152
N-(2-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1244301

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 1247035) is (3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)oc2ccccc12.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is FGQDUJMSPWQUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-11-12-5-3-4-6-13(12)21-14(11)15(18)16-7-9-17(10-8-16)22(2,19)20/h3-6H,7-10H2,1-2H3.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 322.39 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 1247035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).