2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide

C14H20ClN3O2S — CID 79525436

IUPAC2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CSc1cc(Cl)ccc1N
InChIInChI=1S/C14H20ClN3O2S/c1-3-6-17-13(19)8-18(2)14(20)9-21-12-7-10(15)4-5-11(12)16/h4-5,7H,3,6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyOPDKZIDWJLLGSB-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.00
Rot. Bonds7

About 2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide

2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide (PubChem CID 79525436) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide
PubChem CID79525436
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CSc1cc(Cl)ccc1N
InChIInChI=1S/C14H20ClN3O2S/c1-3-6-17-13(19)8-18(2)14(20)9-21-12-7-10(15)4-5-11(12)16/h4-5,7H,3,6,8-9,16H2,1-2H3,(H,17,19)
InChIKeyOPDKZIDWJLLGSB-UHFFFAOYSA-N
XLogP2.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide 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-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
CID 9458202
2-(2-amino-5-chlorophenyl)sulfanyl-N-propan-2-ylacetamide
CID 79528068
2-(2-amino-5-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79527889
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2536523
2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 61115422
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 43238259
2-(5-amino-2-oxo-1-pyridinyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62814969
2-[(2-amino-5-chlorophenyl)sulfanylmethyl]prop-2-enoic acid
CID 79528098
2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
CID 55180596
2-[methyl-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-propylacetamide
CID 9373409
4-chloro-2-(2-methylidenebutylsulfanyl)aniline
CID 79528139

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide (CID 79525436) is 2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)C(=O)CSc1cc(Cl)ccc1N.
What is the InChIKey of 2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide?
The InChIKey is OPDKZIDWJLLGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-3-6-17-13(19)8-18(2)14(20)9-21-12-7-10(15)4-5-11(12)16/h4-5,7H,3,6,8-9,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide?
2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide has a molecular weight of 329.85 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-amino-5-chlorophenyl)sulfanylacetyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 79525436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).