N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide

C12H17ClN2O4S — CID 112998367

IUPACN-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide
SMILESCCCS(=O)(=O)NCC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H17ClN2O4S/c1-3-6-20(17,18)14-8-12(16)15-9-4-5-11(19-2)10(13)7-9/h4-5,7,14H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyWCQLYEUDSPDTEC-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.62
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide (PubChem CID 112998367) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide
PubChem CID112998367
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide
SMILESCCCS(=O)(=O)NCC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C12H17ClN2O4S/c1-3-6-20(17,18)14-8-12(16)15-9-4-5-11(19-2)10(13)7-9/h4-5,7,14H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyWCQLYEUDSPDTEC-UHFFFAOYSA-N
XLogP1.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314189
N-(3-chloro-4-methoxyphenyl)-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112998391
2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000933
N-(2-methoxy-5-methylphenyl)-2-(propylsulfonylamino)acetamide
CID 112998937
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343385
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135971
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 108993256

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide (CID 112998367) is N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide is CCCS(=O)(=O)NCC(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide?
The InChIKey is WCQLYEUDSPDTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-3-6-20(17,18)14-8-12(16)15-9-4-5-11(19-2)10(13)7-9/h4-5,7,14H,3,6,8H2,1-2H3,(H,15,16).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide has a molecular weight of 320.80 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide is sourced from PubChem (CID 112998367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).