N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane

C25H31N3OS — CID 142931440

IUPACN-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane
SMILESCC.CN(C)CCNc1ccc(NC(=O)c2ccc(Sc3ccccc3)cc2)cc1
InChIInChI=1S/C23H25N3OS.C2H6/c1-26(2)17-16-24-19-10-12-20(13-11-19)25-23(27)18-8-14-22(15-9-18)28-21-6-4-3-5-7-21;1-2/h3-15,24H,16-17H2,1-2H3,(H,25,27);1-2H3
InChIKeyRQWULFGTUNJGQY-UHFFFAOYSA-N
MW421.61 g/mol
LogP6.09
Rot. Bonds8

About N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane

N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane (PubChem CID 142931440) has the molecular formula C25H31N3OS and a molecular weight of 421.61 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane
PubChem CID142931440
Molecular FormulaC25H31N3OS
Molecular Weight421.61 g/mol
Exact Mass421.22
IUPAC NameN-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane
SMILESCC.CN(C)CCNc1ccc(NC(=O)c2ccc(Sc3ccccc3)cc2)cc1
InChIInChI=1S/C23H25N3OS.C2H6/c1-26(2)17-16-24-19-10-12-20(13-11-19)25-23(27)18-8-14-22(15-9-18)28-21-6-4-3-5-7-21;1-2/h3-15,24H,16-17H2,1-2H3,(H,25,27);1-2H3
InChIKeyRQWULFGTUNJGQY-UHFFFAOYSA-N
XLogP6.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.61
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-[4-[(4-benzamidobenzoyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56529461
5-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 109229412
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-carboxamide
CID 112981287
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
N-[4-(ethylamino)phenyl]benzamide
CID 71038629
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229981
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661
(E)-but-2-enedioic acid;(E)-1-[4-[2-(dimethylamino)ethylamino]phenyl]-3-phenylprop-2-en-1-one
CID 11223603

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane?
The IUPAC name of N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane (CID 142931440) is N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane?
The canonical SMILES for N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane is CC.CN(C)CCNc1ccc(NC(=O)c2ccc(Sc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane?
The InChIKey is RQWULFGTUNJGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS.C2H6/c1-26(2)17-16-24-19-10-12-20(13-11-19)25-23(27)18-8-14-22(15-9-18)28-21-6-4-3-5-7-21;1-2/h3-15,24H,16-17H2,1-2H3,(H,25,27);1-2H3.
What are the key properties of N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane?
N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane has a molecular weight of 421.61 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylsulfanylbenzamide;ethane is sourced from PubChem (CID 142931440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).