N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide

C24H27ClN2O5S — CID 4277649

IUPACN-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2C)cc1Cl
InChIInChI=1S/C24H27ClN2O5S/c1-15-19-14-18(33(29,30)27(2)17-7-5-4-6-8-17)10-12-21(19)32-23(15)24(28)26-16-9-11-22(31-3)20(25)13-16/h9-14,17H,4-8H2,1-3H3,(H,26,28)
InChIKeyNIIFDNNWSZEFJF-UHFFFAOYSA-N
MW491.01 g/mol
LogP5.61
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4277649) has the molecular formula C24H27ClN2O5S and a molecular weight of 491.01 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID4277649
Molecular FormulaC24H27ClN2O5S
Molecular Weight491.01 g/mol
Exact Mass490.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2C)cc1Cl
InChIInChI=1S/C24H27ClN2O5S/c1-15-19-14-18(33(29,30)27(2)17-7-5-4-6-8-17)10-12-21(19)32-23(15)24(28)26-16-9-11-22(31-3)20(25)13-16/h9-14,17H,4-8H2,1-3H3,(H,26,28)
InChIKeyNIIFDNNWSZEFJF-UHFFFAOYSA-N
XLogP5.61
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.01
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4081907
N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
CID 22422461
N-butyl-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
CID 22422460
5-(diethylsulfamoyl)-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4048386
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(3-chloro-4-methylphenyl)acetamide
CID 3971662
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7581232
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7750652
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
5-(azepan-1-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246547
N-(4-chloro-2-methoxy-5-methylphenyl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 60615698
N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide
CID 2464580
N-[3-[cyclohexyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 17402561

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide (CID 4277649) is N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NIIFDNNWSZEFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O5S/c1-15-19-14-18(33(29,30)27(2)17-7-5-4-6-8-17)10-12-21(19)32-23(15)24(28)26-16-9-11-22(31-3)20(25)13-16/h9-14,17H,4-8H2,1-3H3,(H,26,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 491.01 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4277649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).