N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide

C13H19ClN2O4S — CID 113060257

IUPACN-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
SMILESCCS(=O)(=O)NCCN(C(C)=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O4S/c1-4-21(18,19)15-7-8-16(10(2)17)11-5-6-13(20-3)12(14)9-11/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyYUVFYSRRDYBJKA-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.64
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide

N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide (PubChem CID 113060257) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
PubChem CID113060257
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
SMILESCCS(=O)(=O)NCCN(C(C)=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O4S/c1-4-21(18,19)15-7-8-16(10(2)17)11-5-6-13(20-3)12(14)9-11/h5-6,9,15H,4,7-8H2,1-3H3
InChIKeyYUVFYSRRDYBJKA-UHFFFAOYSA-N
XLogP1.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060265
N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113063583
N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 113061347
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113063486
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
N-(3-chloro-4-methoxyphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060254
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
CID 113060232
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113057949
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113128426
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128357
N-(3,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061350

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide (CID 113060257) is N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide is CCS(=O)(=O)NCCN(C(C)=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The InChIKey is YUVFYSRRDYBJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-4-21(18,19)15-7-8-16(10(2)17)11-5-6-13(20-3)12(14)9-11/h5-6,9,15H,4,7-8H2,1-3H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide has a molecular weight of 334.83 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113060257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).