N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide

C15H23ClN2O3S — CID 113070078

IUPACN-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide
SMILESCCCCC(=O)NCCN(c1ccc(Cl)cc1C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-4-5-6-15(19)17-9-10-18(22(3,20)21)14-8-7-13(16)11-12(14)2/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyWACSGYGWQBVHSH-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.72
Rot. Bonds8

About N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide

N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide (PubChem CID 113070078) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide
PubChem CID113070078
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide
SMILESCCCCC(=O)NCCN(c1ccc(Cl)cc1C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-4-5-6-15(19)17-9-10-18(22(3,20)21)14-8-7-13(16)11-12(14)2/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyWACSGYGWQBVHSH-UHFFFAOYSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide
CID 113071973
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113142058
2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068793
4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
CID 21367329
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113070097
N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070811
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185206
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070961
4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
CID 9173654
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113144144
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide?
The IUPAC name of N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide (CID 113070078) is N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide.
What is the SMILES notation for N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide?
The canonical SMILES for N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide is CCCCC(=O)NCCN(c1ccc(Cl)cc1C)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide?
The InChIKey is WACSGYGWQBVHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-4-5-6-15(19)17-9-10-18(22(3,20)21)14-8-7-13(16)11-12(14)2/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide?
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide has a molecular weight of 346.88 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide is sourced from PubChem (CID 113070078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).