2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide

C22H28N2O2S — CID 112766070

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)SCC(=O)Nc1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H28N2O2S/c1-5-20(18-10-6-15(2)7-11-18)24-22(26)17(4)27-14-21(25)23-19-12-8-16(3)9-13-19/h6-13,17,20H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyMGWUVAOIFULFSH-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.63
Rot. Bonds8

About 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide (PubChem CID 112766070) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide
PubChem CID112766070
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)SCC(=O)Nc1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C22H28N2O2S/c1-5-20(18-10-6-15(2)7-11-18)24-22(26)17(4)27-14-21(25)23-19-12-8-16(3)9-13-19/h6-13,17,20H,5,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyMGWUVAOIFULFSH-UHFFFAOYSA-N
XLogP4.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]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

N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 43005633
N-(1,1-diphenylpropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55589113
2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoylamino]acetic acid
CID 119350440
N-[1-(4-cyanophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55582894
N-(1-methoxypropan-2-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 42988892
(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301686
N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9296915
2-[(2R)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9180108
N-(4-bromophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4535489
N-(2,6-diethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4257905
2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 47102669
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide (CID 112766070) is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide is CCC(NC(=O)C(C)SCC(=O)Nc1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide?
The InChIKey is MGWUVAOIFULFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-5-20(18-10-6-15(2)7-11-18)24-22(26)17(4)27-14-21(25)23-19-12-8-16(3)9-13-19/h6-13,17,20H,5,14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide?
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide has a molecular weight of 384.55 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 112766070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).