N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

C22H30ClN3O3S — CID 46522484

IUPACN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)C(CNC(=O)CCc1ccc(S(=O)(=O)NC)cc1)c1ccccc1Cl
InChIInChI=1S/C22H30ClN3O3S/c1-4-26(5-2)21(19-8-6-7-9-20(19)23)16-25-22(27)15-12-17-10-13-18(14-11-17)30(28,29)24-3/h6-11,13-14,21,24H,4-5,12,15-16H2,1-3H3,(H,25,27)
InChIKeyFUNKTKWDTUSKPM-UHFFFAOYSA-N
MW452.02 g/mol
LogP3.38
Rot. Bonds11

About N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 46522484) has the molecular formula C22H30ClN3O3S and a molecular weight of 452.02 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID46522484
Molecular FormulaC22H30ClN3O3S
Molecular Weight452.02 g/mol
Exact Mass451.17
IUPAC NameN-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)C(CNC(=O)CCc1ccc(S(=O)(=O)NC)cc1)c1ccccc1Cl
InChIInChI=1S/C22H30ClN3O3S/c1-4-26(5-2)21(19-8-6-7-9-20(19)23)16-25-22(27)15-12-17-10-13-18(14-11-17)30(28,29)24-3/h6-11,13-14,21,24H,4-5,12,15-16H2,1-3H3,(H,25,27)
InChIKeyFUNKTKWDTUSKPM-UHFFFAOYSA-N
XLogP3.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.02
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56547079
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 134028769
N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 46528972
N-(2,2-diphenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27770572
(2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide
CID 55934835
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43019245
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
CID 90623823
tert-butyl N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]carbamate
CID 43044946
N-(2-amino-2-phenylethyl)-3-[4-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119529188
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 43062063
N-benzhydryl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18104745

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide (CID 46522484) is N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is CCN(CC)C(CNC(=O)CCc1ccc(S(=O)(=O)NC)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is FUNKTKWDTUSKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O3S/c1-4-26(5-2)21(19-8-6-7-9-20(19)23)16-25-22(27)15-12-17-10-13-18(14-11-17)30(28,29)24-3/h6-11,13-14,21,24H,4-5,12,15-16H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide?
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 452.02 g/mol, XLogP of 3.38, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 46522484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).