3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide

C21H28ClN3O3S — CID 24640206

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(C(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)N(C)C)cc1
InChIInChI=1S/C21H28ClN3O3S/c1-4-16-5-7-17(8-6-16)20(25(2)3)15-23-21(26)13-14-24-29(27,28)19-11-9-18(22)10-12-19/h5-12,20,24H,4,13-15H2,1-3H3,(H,23,26)
InChIKeyXCLJJPJFZNSMGQ-UHFFFAOYSA-N
MW437.99 g/mol
LogP2.99
Rot. Bonds10

About 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide (PubChem CID 24640206) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
PubChem CID24640206
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
SMILESCCc1ccc(C(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)N(C)C)cc1
InChIInChI=1S/C21H28ClN3O3S/c1-4-16-5-7-17(8-6-16)20(25(2)3)15-23-21(26)13-14-24-29(27,28)19-11-9-18(22)10-12-19/h5-12,20,24H,4,13-15H2,1-3H3,(H,23,26)
InChIKeyXCLJJPJFZNSMGQ-UHFFFAOYSA-N
XLogP2.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55949346
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55949741
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43001637
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 46522728
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480885
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
ethyl 4-[[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]sulfamoyl]benzoate
CID 51969738
3-(4-chlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 42990397
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
CID 17225690

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide (CID 24640206) is 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide is CCc1ccc(C(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)N(C)C)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide?
The InChIKey is XCLJJPJFZNSMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3S/c1-4-16-5-7-17(8-6-16)20(25(2)3)15-23-21(26)13-14-24-29(27,28)19-11-9-18(22)10-12-19/h5-12,20,24H,4,13-15H2,1-3H3,(H,23,26).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide has a molecular weight of 437.99 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide is sourced from PubChem (CID 24640206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).