N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

C30H38N2O4S — CID 18861583

IUPACN-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N(C4CCCCC4)C4CCCCC4)cc3)coc2c1C
InChIInChI=1S/C30H38N2O4S/c1-21-13-18-28-23(20-36-30(28)22(21)2)19-29(33)31-24-14-16-27(17-15-24)37(34,35)32(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h13-18,20,25-26H,3-12,19H2,1-2H3,(H,31,33)
InChIKeyWLSRIYPIIUWYHC-UHFFFAOYSA-N
MW522.71 g/mol
LogP6.89
Rot. Bonds7

About N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 18861583) has the molecular formula C30H38N2O4S and a molecular weight of 522.71 g/mol. Its IUPAC name is N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID18861583
Molecular FormulaC30H38N2O4S
Molecular Weight522.71 g/mol
Exact Mass522.26
IUPAC NameN-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N(C4CCCCC4)C4CCCCC4)cc3)coc2c1C
InChIInChI=1S/C30H38N2O4S/c1-21-13-18-28-23(20-36-30(28)22(21)2)19-29(33)31-24-14-16-27(17-15-24)37(34,35)32(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h13-18,20,25-26H,3-12,19H2,1-2H3,(H,31,33)
InChIKeyWLSRIYPIIUWYHC-UHFFFAOYSA-N
XLogP6.89
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.71
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 40775798
N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 17441796
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9403737
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 9106228
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 78767344
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 27226969
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9440899
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 4875706
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 9344204

Frequently Asked Questions

What is the IUPAC name of N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (CID 18861583) is N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N(C4CCCCC4)C4CCCCC4)cc3)coc2c1C.
What is the InChIKey of N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is WLSRIYPIIUWYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O4S/c1-21-13-18-28-23(20-36-30(28)22(21)2)19-29(33)31-24-14-16-27(17-15-24)37(34,35)32(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h13-18,20,25-26H,3-12,19H2,1-2H3,(H,31,33).
What are the key properties of N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 522.71 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18861583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).