N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide

C19H23N3O2S — CID 112794111

IUPACN-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)N(CC(N)=O)C(C)C)c(C)c1
InChIInChI=1S/C19H23N3O2S/c1-12(2)22(11-17(20)23)19(24)15-6-5-9-21-18(15)25-16-8-7-13(3)10-14(16)4/h5-10,12H,11H2,1-4H3,(H2,20,23)
InChIKeyUNRBZHHTGUUEGO-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.19
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 112794111) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID112794111
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)N(CC(N)=O)C(C)C)c(C)c1
InChIInChI=1S/C19H23N3O2S/c1-12(2)22(11-17(20)23)19(24)15-6-5-9-21-18(15)25-16-8-7-13(3)10-14(16)4/h5-10,12H,11H2,1-4H3,(H2,20,23)
InChIKeyUNRBZHHTGUUEGO-UHFFFAOYSA-N
XLogP3.19
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide 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 N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide (CID 112794111) is N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)N(CC(N)=O)C(C)C)c(C)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is UNRBZHHTGUUEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12(2)22(11-17(20)23)19(24)15-6-5-9-21-18(15)25-16-8-7-13(3)10-14(16)4/h5-10,12H,11H2,1-4H3,(H2,20,23).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 112794111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).