N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide

C19H29ClN2O4S — CID 140618845

IUPACN-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide
SMILESCCCCCCC(C)C(=O)N(C(=O)NCCC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H29ClN2O4S/c1-4-6-7-8-9-15(3)18(23)22(19(24)21-14-5-2)27(25,26)17-12-10-16(20)11-13-17/h10-13,15H,4-9,14H2,1-3H3,(H,21,24)
InChIKeyZOFRZDWJGKOFFK-UHFFFAOYSA-N
MW416.97 g/mol
LogP4.58
Rot. Bonds10

About N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide

N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide (PubChem CID 140618845) has the molecular formula C19H29ClN2O4S and a molecular weight of 416.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide
PubChem CID140618845
Molecular FormulaC19H29ClN2O4S
Molecular Weight416.97 g/mol
Exact Mass416.15
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide
SMILESCCCCCCC(C)C(=O)N(C(=O)NCCC)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H29ClN2O4S/c1-4-6-7-8-9-15(3)18(23)22(19(24)21-14-5-2)27(25,26)17-12-10-16(20)11-13-17/h10-13,15H,4-9,14H2,1-3H3,(H,21,24)
InChIKeyZOFRZDWJGKOFFK-UHFFFAOYSA-N
XLogP4.58
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.97
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N,N-dihexylbenzenesulfonamide
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2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
3-butyl-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
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1-(4-chlorophenyl)sulfonyl-3-hexylurea
CID 119056344
3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275
(2R)-N-butyl-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)propanamide;methane
CID 157477834
3-[butyl-(4-chlorophenyl)sulfonylamino]-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 42700254
methyl 2-(4-chloroanilino)octanoate
CID 63525918
1-(2-butyl-4-chlorophenyl)sulfonyl-1-methyl-3-propylurea
CID 142008839
4-chloro-N-[(2S,3R)-1-hydroxy-3-propylnonan-2-yl]benzenesulfonamide
CID 10090907
(2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 126415319

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide (CID 140618845) is N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide is CCCCCCC(C)C(=O)N(C(=O)NCCC)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide?
The InChIKey is ZOFRZDWJGKOFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O4S/c1-4-6-7-8-9-15(3)18(23)22(19(24)21-14-5-2)27(25,26)17-12-10-16(20)11-13-17/h10-13,15H,4-9,14H2,1-3H3,(H,21,24).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide?
N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide has a molecular weight of 416.97 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-methyl-N-(propylcarbamoyl)octanamide is sourced from PubChem (CID 140618845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).