N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide

C14H21ClN2O3S — CID 113059773

IUPACN-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)NCCN(C(C)=O)c1cccc(Cl)c1C
InChIInChI=1S/C14H21ClN2O3S/c1-4-10-21(19,20)16-8-9-17(12(3)18)14-7-5-6-13(15)11(14)2/h5-7,16H,4,8-10H2,1-3H3
InChIKeyXTWHEJSMFKXLBK-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.33
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide

N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide (PubChem CID 113059773) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
PubChem CID113059773
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)NCCN(C(C)=O)c1cccc(Cl)c1C
InChIInChI=1S/C14H21ClN2O3S/c1-4-10-21(19,20)16-8-9-17(12(3)18)14-7-5-6-13(15)11(14)2/h5-7,16H,4,8-10H2,1-3H3
InChIKeyXTWHEJSMFKXLBK-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113059789
N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide
CID 113058249
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766
N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113059791
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-2,2-dimethylpropanamide
CID 113059716
N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113063583
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113070022
tert-butyl N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]carbamate
CID 113059766
N-(3-chloro-2-methylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113059769
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062819
2-(N-acetyl-3-chloro-2-methylanilino)-N-butylacetamide
CID 113171663

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide (CID 113059773) is N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide is CCCS(=O)(=O)NCCN(C(C)=O)c1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
The InChIKey is XTWHEJSMFKXLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-10-21(19,20)16-8-9-17(12(3)18)14-7-5-6-13(15)11(14)2/h5-7,16H,4,8-10H2,1-3H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide?
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide has a molecular weight of 332.85 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113059773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).