(2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C22H26N2O4S — CID 37006346

IUPAC(2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1
InChIInChI=1S/C22H26N2O4S/c1-24(18-8-3-2-4-9-18)29(26,27)19-13-11-17(12-14-19)23-22(25)21-15-16-7-5-6-10-20(16)28-21/h5-7,10-14,18,21H,2-4,8-9,15H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyIQULFIGRDUBGAJ-OAQYLSRUSA-N
MW414.53 g/mol
LogP3.58
Rot. Bonds5

About (2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 37006346) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is (2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID37006346
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name(2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1
InChIInChI=1S/C22H26N2O4S/c1-24(18-8-3-2-4-9-18)29(26,27)19-13-11-17(12-14-19)23-22(25)21-15-16-7-5-6-10-20(16)28-21/h5-7,10-14,18,21H,2-4,8-9,15H2,1H3,(H,23,25)/t21-/m1/s1
InChIKeyIQULFIGRDUBGAJ-OAQYLSRUSA-N
XLogP3.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41117122
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 4777920
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
N-[3-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049764
N-(3-cyclopentyloxy-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55591626
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074346

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 37006346) is (2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1.
What is the InChIKey of (2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is IQULFIGRDUBGAJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-24(18-8-3-2-4-9-18)29(26,27)19-13-11-17(12-14-19)23-22(25)21-15-16-7-5-6-10-20(16)28-21/h5-7,10-14,18,21H,2-4,8-9,15H2,1H3,(H,23,25)/t21-/m1/s1.
What are the key properties of (2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 37006346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).