N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide

C18H28ClN3O3S — CID 9265560

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CNC2CCCCCCC2)c1
InChIInChI=1S/C18H28ClN3O3S/c1-22(2)26(24,25)15-10-11-16(19)17(12-15)21-18(23)13-20-14-8-6-4-3-5-7-9-14/h10-12,14,20H,3-9,13H2,1-2H3,(H,21,23)
InChIKeyFWQYBXMWGFVBIT-UHFFFAOYSA-N
MW401.96 g/mol
LogP3.23
Rot. Bonds6

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide (PubChem CID 9265560) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide
PubChem CID9265560
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CNC2CCCCCCC2)c1
InChIInChI=1S/C18H28ClN3O3S/c1-22(2)26(24,25)15-10-11-16(19)17(12-15)21-18(23)13-20-14-8-6-4-3-5-7-9-14/h10-12,14,20H,3-9,13H2,1-2H3,(H,21,23)
InChIKeyFWQYBXMWGFVBIT-UHFFFAOYSA-N
XLogP3.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60648529
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
CID 11931581
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 7434668
2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54815310
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
CID 21339599
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 7746228
2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4790618
2-(cyclopentylamino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4135329
methyl 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8742573
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
CID 8867441
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide (CID 9265560) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CNC2CCCCCCC2)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide?
The InChIKey is FWQYBXMWGFVBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O3S/c1-22(2)26(24,25)15-10-11-16(19)17(12-15)21-18(23)13-20-14-8-6-4-3-5-7-9-14/h10-12,14,20H,3-9,13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide has a molecular weight of 401.96 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide is sourced from PubChem (CID 9265560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).