2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide

C19H23N3O2S — CID 46700581

IUPAC2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CNc2ccccc2SCC(N)=O)c1
InChIInChI=1S/C19H23N3O2S/c1-13(2)14-6-5-7-15(10-14)22-19(24)11-21-16-8-3-4-9-17(16)25-12-18(20)23/h3-10,13,21H,11-12H2,1-2H3,(H2,20,23)(H,22,24)
InChIKeyPGXQGCOUURXPOX-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.44
Rot. Bonds8

About 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide

2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 46700581) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide
PubChem CID46700581
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CNc2ccccc2SCC(N)=O)c1
InChIInChI=1S/C19H23N3O2S/c1-13(2)14-6-5-7-15(10-14)22-19(24)11-21-16-8-3-4-9-17(16)25-12-18(20)23/h3-10,13,21H,11-12H2,1-2H3,(H2,20,23)(H,22,24)
InChIKeyPGXQGCOUURXPOX-UHFFFAOYSA-N
XLogP3.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide 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-(1-acetyl-2,3-dihydroindol-5-yl)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]acetamide
CID 25380755
2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide
CID 7997045
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 46633568
N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894112
(2R)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-methylphenyl)propanamide
CID 9044547
2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide
CID 43786495
2-(4-aminophenyl)sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 43298954
2-[2-[[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 17415532
[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9041753
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
N-(3-methoxyphenyl)-2-(2-methylsulfanylanilino)acetamide
CID 86910684
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide (CID 46700581) is 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CNc2ccccc2SCC(N)=O)c1.
What is the InChIKey of 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is PGXQGCOUURXPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13(2)14-6-5-7-15(10-14)22-19(24)11-21-16-8-3-4-9-17(16)25-12-18(20)23/h3-10,13,21H,11-12H2,1-2H3,(H2,20,23)(H,22,24).
What are the key properties of 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide?
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 46700581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).