N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide

C14H17NO2S — CID 66355572

IUPACN-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide
SMILESCCN(C(=O)CSc1cccc(C=O)c1)C1CC1
InChIInChI=1S/C14H17NO2S/c1-2-15(12-6-7-12)14(17)10-18-13-5-3-4-11(8-13)9-16/h3-5,8-9,12H,2,6-7,10H2,1H3
InChIKeyUEJOKYUKFKDBKK-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.60
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide

N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide (PubChem CID 66355572) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide
PubChem CID66355572
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide
SMILESCCN(C(=O)CSc1cccc(C=O)c1)C1CC1
InChIInChI=1S/C14H17NO2S/c1-2-15(12-6-7-12)14(17)10-18-13-5-3-4-11(8-13)9-16/h3-5,8-9,12H,2,6-7,10H2,1H3
InChIKeyUEJOKYUKFKDBKK-UHFFFAOYSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide (CID 66355572) is N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide is CCN(C(=O)CSc1cccc(C=O)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide?
The InChIKey is UEJOKYUKFKDBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-2-15(12-6-7-12)14(17)10-18-13-5-3-4-11(8-13)9-16/h3-5,8-9,12H,2,6-7,10H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide?
N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide has a molecular weight of 263.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-(3-formylphenyl)sulfanylacetamide is sourced from PubChem (CID 66355572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).