2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide

C16H25ClN2O3S — CID 113068320

IUPAC2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
SMILESCCCCCN(CCNC(=O)Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O3S/c1-3-4-5-11-19(23(2,21)22)12-10-18-16(20)13-14-6-8-15(17)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyQEOHOSXGCCRQDG-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.45
Rot. Bonds10

About 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide

2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide (PubChem CID 113068320) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
PubChem CID113068320
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
SMILESCCCCCN(CCNC(=O)Cc1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O3S/c1-3-4-5-11-19(23(2,21)22)12-10-18-16(20)13-14-6-8-15(17)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,18,20)
InChIKeyQEOHOSXGCCRQDG-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-pentylpropanamide
CID 113139502
N-butyl-3-[(4-chlorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139467
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
CID 113066272
2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065386
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068306
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-pentylacetamide
CID 100787251
2-(4-chlorophenyl)-N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]acetamide
CID 113068149
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113067077
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 113067070

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide (CID 113068320) is 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide is CCCCCN(CCNC(=O)Cc1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide?
The InChIKey is QEOHOSXGCCRQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-3-4-5-11-19(23(2,21)22)12-10-18-16(20)13-14-6-8-15(17)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide has a molecular weight of 360.91 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide is sourced from PubChem (CID 113068320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).