N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide

C23H20N2O2S2 — CID 86956473

IUPACN-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide
SMILESN#Cc1ccc(SCCC(=O)Nc2cccc(CS(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C23H20N2O2S2/c24-16-18-9-11-21(12-10-18)28-14-13-23(26)25-20-6-4-5-19(15-20)17-29(27)22-7-2-1-3-8-22/h1-12,15H,13-14,17H2,(H,25,26)
InChIKeyFMMFXZGJGFBRHK-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.99
Rot. Bonds8

About N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide

N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide (PubChem CID 86956473) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide
PubChem CID86956473
Molecular FormulaC23H20N2O2S2
Molecular Weight420.56 g/mol
Exact Mass420.10
IUPAC NameN-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide
SMILESN#Cc1ccc(SCCC(=O)Nc2cccc(CS(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C23H20N2O2S2/c24-16-18-9-11-21(12-10-18)28-14-13-23(26)25-20-6-4-5-19(15-20)17-29(27)22-7-2-1-3-8-22/h1-12,15H,13-14,17H2,(H,25,26)
InChIKeyFMMFXZGJGFBRHK-UHFFFAOYSA-N
XLogP4.99
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide 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

N-[3-(benzenesulfinylmethyl)phenyl]acetamide
CID 166180703
3-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)propanamide
CID 62647174
5-[3-(benzenesulfinylmethyl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119133863
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-(3-acetylphenyl)-3-phenylsulfanylpropanamide
CID 1322631
1-tert-butyl-3-[3-[[(S)-phenylsulfinyl]methyl]phenyl]urea
CID 95975369
N-(3-cyanophenyl)-2-[(3-methylphenyl)methylsulfinyl]acetamide
CID 86927196
N-[4-(cyanomethyl)phenyl]-3-phenylsulfanylpropanamide
CID 1279971
2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide
CID 64691051
N-[3-(methoxymethyl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 33101027
N-(3-cyanophenyl)-3-(1-phenylethoxy)propanamide
CID 43824378
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide?
The IUPAC name of N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide (CID 86956473) is N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide?
The canonical SMILES for N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide is N#Cc1ccc(SCCC(=O)Nc2cccc(CS(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide?
The InChIKey is FMMFXZGJGFBRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S2/c24-16-18-9-11-21(12-10-18)28-14-13-23(26)25-20-6-4-5-19(15-20)17-29(27)22-7-2-1-3-8-22/h1-12,15H,13-14,17H2,(H,25,26).
What are the key properties of N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide?
N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide has a molecular weight of 420.56 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfinylmethyl)phenyl]-3-(4-cyanophenyl)sulfanylpropanamide is sourced from PubChem (CID 86956473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).