N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide

C15H21NO2S — CID 43577384

IUPACN-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C15H21NO2S/c1-11-3-4-12(2)14(9-11)19-10-15(18)16(7-8-17)13-5-6-13/h3-4,9,13,17H,5-8,10H2,1-2H3
InChIKeyUYJXTLDFAPERJS-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.38
Rot. Bonds6

About N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide

N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide (PubChem CID 43577384) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide
PubChem CID43577384
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)N(CCO)C2CC2)c1
InChIInChI=1S/C15H21NO2S/c1-11-3-4-12(2)14(9-11)19-10-15(18)16(7-8-17)13-5-6-13/h3-4,9,13,17H,5-8,10H2,1-2H3
InChIKeyUYJXTLDFAPERJS-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide (CID 43577384) is N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide is Cc1ccc(C)c(SCC(=O)N(CCO)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is UYJXTLDFAPERJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-3-4-12(2)14(9-11)19-10-15(18)16(7-8-17)13-5-6-13/h3-4,9,13,17H,5-8,10H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide?
N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 279.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 43577384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).