N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide

C25H37N3O3S — CID 46528972

IUPACN-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)C(CNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1
InChIInChI=1S/C25H37N3O3S/c1-5-27(6-2)24(22-12-10-9-11-13-22)20-26-25(29)19-16-21-14-17-23(18-15-21)32(30,31)28(7-3)8-4/h9-15,17-18,24H,5-8,16,19-20H2,1-4H3,(H,26,29)
InChIKeyNFWJXLWFHDBISF-UHFFFAOYSA-N
MW459.66 g/mol
LogP3.85
Rot. Bonds13

About N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide

N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 46528972) has the molecular formula C25H37N3O3S and a molecular weight of 459.66 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID46528972
Molecular FormulaC25H37N3O3S
Molecular Weight459.66 g/mol
Exact Mass459.26
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)C(CNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1
InChIInChI=1S/C25H37N3O3S/c1-5-27(6-2)24(22-12-10-9-11-13-22)20-26-25(29)19-16-21-14-17-23(18-15-21)32(30,31)28(7-3)8-4/h9-15,17-18,24H,5-8,16,19-20H2,1-4H3,(H,26,29)
InChIKeyNFWJXLWFHDBISF-UHFFFAOYSA-N
XLogP3.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 32732309
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 46522728
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
CID 120828761
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120654006
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78866038
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 51658596
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 46522484
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide (CID 46528972) is N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)C(CNC(=O)CCc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is NFWJXLWFHDBISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3S/c1-5-27(6-2)24(22-12-10-9-11-13-22)20-26-25(29)19-16-21-14-17-23(18-15-21)32(30,31)28(7-3)8-4/h9-15,17-18,24H,5-8,16,19-20H2,1-4H3,(H,26,29).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 459.66 g/mol, XLogP of 3.85, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 46528972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).