N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide

C24H27ClN2O4S — CID 22422461

IUPACN-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2Cl)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12
InChIInChI=1S/C24H27ClN2O4S/c1-16-20-14-19(32(29,30)27(2)18-9-4-3-5-10-18)12-13-22(20)31-23(16)24(28)26-15-17-8-6-7-11-21(17)25/h6-8,11-14,18H,3-5,9-10,15H2,1-2H3,(H,26,28)
InChIKeyKDDSKIPXEAOSGE-UHFFFAOYSA-N
MW475.01 g/mol
LogP5.28
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 22422461) has the molecular formula C24H27ClN2O4S and a molecular weight of 475.01 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID22422461
Molecular FormulaC24H27ClN2O4S
Molecular Weight475.01 g/mol
Exact Mass474.14
IUPAC NameN-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2Cl)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12
InChIInChI=1S/C24H27ClN2O4S/c1-16-20-14-19(32(29,30)27(2)18-9-4-3-5-10-18)12-13-22(20)31-23(16)24(28)26-15-17-8-6-7-11-21(17)25/h6-8,11-14,18H,3-5,9-10,15H2,1-2H3,(H,26,28)
InChIKeyKDDSKIPXEAOSGE-UHFFFAOYSA-N
XLogP5.28
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.01
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
CID 22422460
N-(3-chloro-4-methoxyphenyl)-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide
CID 4277649
5-[(2-chlorophenyl)methylsulfamoyl]-3-methyl-1-benzofuran-2-carboxylate
CID 4319489
5-chloro-3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 9143399
N-cyclohexyl-5-(dibutylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 20967860
N-[(2-chlorophenyl)methyl]-2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 126011818
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
CID 17178988
5-methoxy-3-methyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8969278
3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 139703911
5-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246543
N-benzyl-6-[cyclohexyl(methyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
CID 22427077

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide (CID 22422461) is N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccccc2Cl)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KDDSKIPXEAOSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4S/c1-16-20-14-19(32(29,30)27(2)18-9-4-3-5-10-18)12-13-22(20)31-23(16)24(28)26-15-17-8-6-7-11-21(17)25/h6-8,11-14,18H,3-5,9-10,15H2,1-2H3,(H,26,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 475.01 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-[cyclohexyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22422461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).