3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide

C22H24N2O4S — CID 2139142

IUPAC3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)oc2ccccc12
InChIInChI=1S/C22H24N2O4S/c1-15-6-5-13-24(14-15)29(26,27)18-11-9-17(10-12-18)23-22(25)21-16(2)19-7-3-4-8-20(19)28-21/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyQCQJHLLQGNCDJY-OAHLLOKOSA-N
MW412.51 g/mol
LogP4.41
Rot. Bonds4

About 3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide

3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 2139142) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
PubChem CID2139142
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)oc2ccccc12
InChIInChI=1S/C22H24N2O4S/c1-15-6-5-13-24(14-15)29(26,27)18-11-9-17(10-12-18)23-22(25)21-16(2)19-7-3-4-8-20(19)28-21/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyQCQJHLLQGNCDJY-OAHLLOKOSA-N
XLogP4.41
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide 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-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 2373627
3-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 2926058
ethyl 3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]-1-benzofuran-2-carboxylate
CID 42427921
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 4583854
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]quinoline-2-carboxamide
CID 42998438
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
3,4,5-trimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311736
N-(4-methylphenyl)-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16814893
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 16546118
5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 9344621

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide (CID 2139142) is 3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is QCQJHLLQGNCDJY-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-15-6-5-13-24(14-15)29(26,27)18-11-9-17(10-12-18)23-22(25)21-16(2)19-7-3-4-8-20(19)28-21/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2139142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).