2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide

C24H28N2O4S — CID 40775798

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)coc2c1C
InChIInChI=1S/C24H28N2O4S/c1-16-7-12-22-19(15-30-24(22)18(16)3)14-23(27)25-20-8-10-21(11-9-20)31(28,29)26-13-5-4-6-17(26)2/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyOZXXDSKFNGKXOY-KRWDZBQOSA-N
MW440.57 g/mol
LogP4.79
Rot. Bonds5

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 40775798) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID40775798
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)coc2c1C
InChIInChI=1S/C24H28N2O4S/c1-16-7-12-22-19(15-30-24(22)18(16)3)14-23(27)25-20-8-10-21(11-9-20)31(28,29)26-13-5-4-6-17(26)2/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyOZXXDSKFNGKXOY-KRWDZBQOSA-N
XLogP4.79
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 18861583
N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 17441796
2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 19114634
N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pentanamide
CID 17217685
1-(2-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]urea
CID 27521233
1-(4-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27522605
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 164997311
3-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 2926058
1-(4-ethylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27525385
N-[(2-methylphenyl)methyl]-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110827326
2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 1176111

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide (CID 40775798) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide is Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is OZXXDSKFNGKXOY-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-16-7-12-22-19(15-30-24(22)18(16)3)14-23(27)25-20-8-10-21(11-9-20)31(28,29)26-13-5-4-6-17(26)2/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,25,27)/t17-/m0/s1.
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 440.57 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 40775798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).