2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide

C19H23N3O2S — CID 4884154

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCc1ccc(NC(=O)CSC(C)C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C19H23N3O2S/c1-14-6-8-17(9-7-14)22-18(23)13-25-15(2)19(24)21-12-10-16-5-3-4-11-20-16/h3-9,11,15H,10,12-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKBDNOEXESGQVJH-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.81
Rot. Bonds8

About 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 4884154) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID4884154
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
SMILESCc1ccc(NC(=O)CSC(C)C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C19H23N3O2S/c1-14-6-8-17(9-7-14)22-18(23)13-25-15(2)19(24)21-12-10-16-5-3-4-11-20-16/h3-9,11,15H,10,12-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKBDNOEXESGQVJH-UHFFFAOYSA-N
XLogP2.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide (CID 4884154) is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide is Cc1ccc(NC(=O)CSC(C)C(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is KBDNOEXESGQVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-6-8-17(9-7-14)22-18(23)13-25-15(2)19(24)21-12-10-16-5-3-4-11-20-16/h3-9,11,15H,10,12-13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide?
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 357.48 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 4884154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).