3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide

C22H24N2O3S2 — CID 68821870

IUPAC3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide
SMILESO=C(NC1CCCCC1)c1cccc(CNS(=O)(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C22H24N2O3S2/c25-22(24-19-10-2-1-3-11-19)18-9-6-7-16(13-18)15-23-29(26,27)21-14-17-8-4-5-12-20(17)28-21/h4-9,12-14,19,23H,1-3,10-11,15H2,(H,24,25)
InChIKeyMEWPWZIQHDIAPZ-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.44
Rot. Bonds6

About 3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide

3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide (PubChem CID 68821870) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide
PubChem CID68821870
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC Name3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide
SMILESO=C(NC1CCCCC1)c1cccc(CNS(=O)(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C22H24N2O3S2/c25-22(24-19-10-2-1-3-11-19)18-9-6-7-16(13-18)15-23-29(26,27)21-14-17-8-4-5-12-20(17)28-21/h4-9,12-14,19,23H,1-3,10-11,15H2,(H,24,25)
InChIKeyMEWPWZIQHDIAPZ-UHFFFAOYSA-N
XLogP4.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[4-(4-cyanophenyl)phenyl]sulfonylamino]methyl]-N-cyclohexylbenzamide
CID 68826108
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
N-cyclohexyl-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzamide
CID 72855243
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-cyclohexylbenzamide
CID 45273834
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cyanomethyl)-N-cyclopentylbenzamide
CID 82178994
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-cyclooctylbenzamide
CID 38102818
3-[[(4,5-dimethylthiophen-2-yl)sulfonylamino]methyl]benzamide
CID 75441825

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide?
The IUPAC name of 3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide (CID 68821870) is 3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide is O=C(NC1CCCCC1)c1cccc(CNS(=O)(=O)c2cc3ccccc3s2)c1.
What is the InChIKey of 3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide?
The InChIKey is MEWPWZIQHDIAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c25-22(24-19-10-2-1-3-11-19)18-9-6-7-16(13-18)15-23-29(26,27)21-14-17-8-4-5-12-20(17)28-21/h4-9,12-14,19,23H,1-3,10-11,15H2,(H,24,25).
What are the key properties of 3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide?
3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide has a molecular weight of 428.58 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzothiophen-2-ylsulfonylamino)methyl]-N-cyclohexylbenzamide is sourced from PubChem (CID 68821870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).