N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide

C19H31N3O3S — CID 78862058

IUPACN-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NCC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-15(2)22-26(24,25)18-12-10-16(11-13-18)20-14-19(23)21-17-8-6-4-3-5-7-9-17/h10-13,15,17,20,22H,3-9,14H2,1-2H3,(H,21,23)
InChIKeyZEFYFDRJAWBSRB-UHFFFAOYSA-N
MW381.54 g/mol
LogP3.01
Rot. Bonds7

About N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide

N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide (PubChem CID 78862058) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide
PubChem CID78862058
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(NCC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-15(2)22-26(24,25)18-12-10-16(11-13-18)20-14-19(23)21-17-8-6-4-3-5-7-9-17/h10-13,15,17,20,22H,3-9,14H2,1-2H3,(H,21,23)
InChIKeyZEFYFDRJAWBSRB-UHFFFAOYSA-N
XLogP3.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(methylsulfamoyl)anilino]acetamide
CID 43568438
4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454160
N-cyclohexyl-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 110285141
4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454135
N-cyclopropyl-2-[2-(propan-2-ylsulfamoyl)anilino]acetamide
CID 43568444
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 2955440
[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16565526
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-cycloheptylacetamide
CID 1307702
N-cyclopropyl-2-[4-(trifluoromethylsulfonyl)anilino]acetamide
CID 43429869
N-cyclopentyl-2-(4-ethoxyanilino)acetamide
CID 28569669

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide?
The IUPAC name of N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide (CID 78862058) is N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide is CC(C)NS(=O)(=O)c1ccc(NCC(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide?
The InChIKey is ZEFYFDRJAWBSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-15(2)22-26(24,25)18-12-10-16(11-13-18)20-14-19(23)21-17-8-6-4-3-5-7-9-17/h10-13,15,17,20,22H,3-9,14H2,1-2H3,(H,21,23).
What are the key properties of N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide?
N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide has a molecular weight of 381.54 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 78862058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).