2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide

C14H20N2O3S — CID 81206811

IUPAC2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CS(=O)c1cc(OC)ccc1N)C1CC1
InChIInChI=1S/C14H20N2O3S/c1-3-16(10-4-5-10)14(17)9-20(18)13-8-11(19-2)6-7-12(13)15/h6-8,10H,3-5,9,15H2,1-2H3
InChIKeyKCQIGMBNDFUGFK-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.40
Rot. Bonds6

About 2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide

2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide (PubChem CID 81206811) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide
PubChem CID81206811
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CS(=O)c1cc(OC)ccc1N)C1CC1
InChIInChI=1S/C14H20N2O3S/c1-3-16(10-4-5-10)14(17)9-20(18)13-8-11(19-2)6-7-12(13)15/h6-8,10H,3-5,9,15H2,1-2H3
InChIKeyKCQIGMBNDFUGFK-UHFFFAOYSA-N
XLogP1.40
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide (CID 81206811) is 2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CS(=O)c1cc(OC)ccc1N)C1CC1.
What is the InChIKey of 2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide?
The InChIKey is KCQIGMBNDFUGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-16(10-4-5-10)14(17)9-20(18)13-8-11(19-2)6-7-12(13)15/h6-8,10H,3-5,9,15H2,1-2H3.
What are the key properties of 2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide?
2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide has a molecular weight of 296.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenyl)sulfinyl-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 81206811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).