4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C21H28N2O4S — CID 46654097

IUPAC4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1
InChIInChI=1S/C21H28N2O4S/c1-16-9-12-19(27-16)15-22(2)21(24)17-10-13-20(14-11-17)28(25,26)23(3)18-7-5-4-6-8-18/h9-14,18H,4-8,15H2,1-3H3
InChIKeyHDEDJVXIPOHZRW-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.81
Rot. Bonds6

About 4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 46654097) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID46654097
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1
InChIInChI=1S/C21H28N2O4S/c1-16-9-12-19(27-16)15-22(2)21(24)17-10-13-20(14-11-17)28(25,26)23(3)18-7-5-4-6-8-18/h9-14,18H,4-8,15H2,1-3H3
InChIKeyHDEDJVXIPOHZRW-UHFFFAOYSA-N
XLogP3.81
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 31150760
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
4-[cyclohexyl(methyl)sulfamoyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylbenzamide
CID 27861404
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 4807463
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
4-(acetamidomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 32754986
4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-cyclopropylamino]methyl]benzamide
CID 38371562
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methylamino)propyl]benzamide
CID 119432186
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 27780589

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 46654097) is 4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)o1.
What is the InChIKey of 4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is HDEDJVXIPOHZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-16-9-12-19(27-16)15-22(2)21(24)17-10-13-20(14-11-17)28(25,26)23(3)18-7-5-4-6-8-18/h9-14,18H,4-8,15H2,1-3H3.
What are the key properties of 4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 46654097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).