3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

C21H24N2O3S — CID 46533396

IUPAC3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCOc1ccc(SCCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-26-18-8-10-19(11-9-18)27-15-12-20(24)22-17-6-4-16(5-7-17)21(25)23-13-2-3-14-23/h4-11H,2-3,12-15H2,1H3,(H,22,24)
InChIKeyZMLNOKNOLXBXOY-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.05
Rot. Bonds7

About 3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 46533396) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID46533396
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCOc1ccc(SCCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C21H24N2O3S/c1-26-18-8-10-19(11-9-18)27-15-12-20(24)22-17-6-4-16(5-7-17)21(25)23-13-2-3-14-23/h4-11H,2-3,12-15H2,1H3,(H,22,24)
InChIKeyZMLNOKNOLXBXOY-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide 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

3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
3-(2,5-dimethoxyphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 38018921
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086497
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-methoxyethyl 4-[4-(azepane-1-carbonyl)anilino]-4-oxobutanoate
CID 17199104
N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 17199308
3-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 43035680
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 46533396) is 3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is COc1ccc(SCCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is ZMLNOKNOLXBXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-26-18-8-10-19(11-9-18)27-15-12-20(24)22-17-6-4-16(5-7-17)21(25)23-13-2-3-14-23/h4-11H,2-3,12-15H2,1H3,(H,22,24).
What are the key properties of 3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 384.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 46533396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).