2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide

C14H20N2O2S — CID 79822776

IUPAC2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1ccc(N)cc1OC)C1CC1
InChIInChI=1S/C14H20N2O2S/c1-3-16(11-5-6-11)14(17)9-19-13-7-4-10(15)8-12(13)18-2/h4,7-8,11H,3,5-6,9,15H2,1-2H3
InChIKeyGFTVHRXLIDEPLH-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.38
Rot. Bonds6

About 2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide

2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide (PubChem CID 79822776) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide
PubChem CID79822776
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1ccc(N)cc1OC)C1CC1
InChIInChI=1S/C14H20N2O2S/c1-3-16(11-5-6-11)14(17)9-19-13-7-4-10(15)8-12(13)18-2/h4,7-8,11H,3,5-6,9,15H2,1-2H3
InChIKeyGFTVHRXLIDEPLH-UHFFFAOYSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide 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-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79836851
2-(4-amino-2-methoxyphenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 79836514
propan-2-yl 2-(4-amino-2-methoxyphenyl)sulfanylacetate
CID 79823041
3-methoxy-4-(2-methylidenebutylsulfanyl)aniline
CID 79830261
2-(4-amino-2-methoxyphenyl)sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 79827123
5-amino-N-cyclopentyl-N-ethyl-2-methoxybenzamide
CID 61094826
4-(4-amino-2-methoxyphenyl)sulfanyl-N,N-dimethylbutanamide
CID 79830452
1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79830626
1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]imidazolidin-2-one
CID 79822950
3-(4-amino-2-methoxyphenyl)sulfanyl-2-methylpropanamide
CID 79829901
2-(4-amino-2-methoxyphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79830616
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
CID 61095548

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide (CID 79822776) is 2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CSc1ccc(N)cc1OC)C1CC1.
What is the InChIKey of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide?
The InChIKey is GFTVHRXLIDEPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-16(11-5-6-11)14(17)9-19-13-7-4-10(15)8-12(13)18-2/h4,7-8,11H,3,5-6,9,15H2,1-2H3.
What are the key properties of 2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide?
2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide has a molecular weight of 280.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenyl)sulfanyl-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 79822776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).