(2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide

C16H25Cl2N3O3S — CID 97028480

IUPAC(2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide
SMILESCCN(CC)S(=O)(=O)CCNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C
InChIInChI=1S/C16H25Cl2N3O3S/c1-5-21(6-2)25(23,24)8-7-19-16(22)15(20(3)4)12-9-13(17)11-14(18)10-12/h9-11,15H,5-8H2,1-4H3,(H,19,22)/t15-/m1/s1
InChIKeyUDHJPHYYOMTVCK-OAHLLOKOSA-N
MW410.37 g/mol
LogP2.38
Rot. Bonds9

About (2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide

(2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide (PubChem CID 97028480) has the molecular formula C16H25Cl2N3O3S and a molecular weight of 410.37 g/mol. Its IUPAC name is (2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide
PubChem CID97028480
Molecular FormulaC16H25Cl2N3O3S
Molecular Weight410.37 g/mol
Exact Mass409.10
IUPAC Name(2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide
SMILESCCN(CC)S(=O)(=O)CCNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C
InChIInChI=1S/C16H25Cl2N3O3S/c1-5-21(6-2)25(23,24)8-7-19-16(22)15(20(3)4)12-9-13(17)11-14(18)10-12/h9-11,15H,5-8H2,1-4H3,(H,19,22)/t15-/m1/s1
InChIKeyUDHJPHYYOMTVCK-OAHLLOKOSA-N
XLogP2.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide?
The IUPAC name of (2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide (CID 97028480) is (2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for (2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide?
The canonical SMILES for (2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide is CCN(CC)S(=O)(=O)CCNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(C)C.
What is the InChIKey of (2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide?
The InChIKey is UDHJPHYYOMTVCK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25Cl2N3O3S/c1-5-21(6-2)25(23,24)8-7-19-16(22)15(20(3)4)12-9-13(17)11-14(18)10-12/h9-11,15H,5-8H2,1-4H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide?
(2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide has a molecular weight of 410.37 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dichlorophenyl)-N-[2-(diethylsulfamoyl)ethyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 97028480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).