2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C18H22ClN3O3S — CID 51171745

IUPAC2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCC(NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-13(16-9-4-5-10-17(16)19)20-12-18(23)21-14-7-6-8-15(11-14)26(24,25)22(2)3/h4-11,13,20H,12H2,1-3H3,(H,21,23)
InChIKeyYZMXVCYDBOVLEF-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.88
Rot. Bonds7

About 2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 51171745) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID51171745
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCC(NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-13(16-9-4-5-10-17(16)19)20-12-18(23)21-14-7-6-8-15(11-14)26(24,25)22(2)3/h4-11,13,20H,12H2,1-3H3,(H,21,23)
InChIKeyYZMXVCYDBOVLEF-UHFFFAOYSA-N
XLogP2.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9335719
N-(3-acetamidophenyl)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 26006629
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-(butan-2-ylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 60646929
N-(3-acetylphenyl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 18085927
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9307246
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
2-[1-(2-chlorophenyl)ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18085953

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 51171745) is 2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CC(NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is YZMXVCYDBOVLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-13(16-9-4-5-10-17(16)19)20-12-18(23)21-14-7-6-8-15(11-14)26(24,25)22(2)3/h4-11,13,20H,12H2,1-3H3,(H,21,23).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 395.91 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 51171745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).