2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide

C11H15ClN2OS — CID 79133360

IUPAC2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)C(C)Sc1cc(N)ccc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-3-14-11(15)7(2)16-10-6-8(13)4-5-9(10)12/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyBSAXKTULRRYJGF-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.54
Rot. Bonds4

About 2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide

2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide (PubChem CID 79133360) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
PubChem CID79133360
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
SMILESCCNC(=O)C(C)Sc1cc(N)ccc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-3-14-11(15)7(2)16-10-6-8(13)4-5-9(10)12/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyBSAXKTULRRYJGF-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide 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

2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 43299394
2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide
CID 79134085
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
2-(5-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 79141692
2-(4-amino-2-chlorophenyl)sulfanyl-N-prop-2-ynylpropanamide
CID 43305444
[1-(ethylamino)-1-oxopropan-2-yl] 5-amino-2-chlorobenzoate
CID 61321068
2-(5-amino-2-chlorophenyl)sulfanylpentanehydrazide
CID 83048344
N-(3-aminobutyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119497529
2-(4-amino-2-methylphenyl)sulfanyl-N-propylpropanamide
CID 43303210
2-(4-amino-2-chlorophenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 43305446
2-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 43305454
2-(2,5-dichlorophenyl)sulfanyl-N-(3-hydroxybutyl)propanamide
CID 111433355

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide (CID 79133360) is 2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide is CCNC(=O)C(C)Sc1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide?
The InChIKey is BSAXKTULRRYJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-3-14-11(15)7(2)16-10-6-8(13)4-5-9(10)12/h4-7H,3,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide?
2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide has a molecular weight of 258.77 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide is sourced from PubChem (CID 79133360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).