3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide

C19H23ClN2O4S — CID 48541773

IUPAC3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)CCOc2ccccc2Cl)c1C
InChIInChI=1S/C19H23ClN2O4S/c1-3-13-27(24,25)22-17-9-6-8-16(14(17)2)21-19(23)11-12-26-18-10-5-4-7-15(18)20/h4-10,22H,3,11-13H2,1-2H3,(H,21,23)
InChIKeyKHUSHXOWADOMQK-UHFFFAOYSA-N
MW410.92 g/mol
LogP4.21
Rot. Bonds9

About 3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide

3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide (PubChem CID 48541773) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide
PubChem CID48541773
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)CCOc2ccccc2Cl)c1C
InChIInChI=1S/C19H23ClN2O4S/c1-3-13-27(24,25)22-17-9-6-8-16(14(17)2)21-19(23)11-12-26-18-10-5-4-7-15(18)20/h4-10,22H,3,11-13H2,1-2H3,(H,21,23)
InChIKeyKHUSHXOWADOMQK-UHFFFAOYSA-N
XLogP4.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide
CID 119301626
7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide
CID 119745689
2-(2-methoxyethylamino)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 119745719
tert-butyl N-[3-[2-methyl-3-(propylsulfonylamino)anilino]-3-oxopropyl]carbamate
CID 48541913
2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 47078779
N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
CID 39088317
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
CID 19190988
N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide
CID 47207514
2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide
CID 72685990
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide (CID 48541773) is 3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide is CCCS(=O)(=O)Nc1cccc(NC(=O)CCOc2ccccc2Cl)c1C.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide?
The InChIKey is KHUSHXOWADOMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-3-13-27(24,25)22-17-9-6-8-16(14(17)2)21-19(23)11-12-26-18-10-5-4-7-15(18)20/h4-10,22H,3,11-13H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide?
3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide has a molecular weight of 410.92 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[2-methyl-3-(propylsulfonylamino)phenyl]propanamide is sourced from PubChem (CID 48541773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).