N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide

C13H17NOS — CID 881347

IUPACN-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)NC1CC1
InChIInChI=1S/C13H17NOS/c1-10-4-2-3-5-11(10)8-16-9-13(15)14-12-6-7-12/h2-5,12H,6-9H2,1H3,(H,14,15)
InChIKeyZXTKOFMGADFAAC-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.51
Rot. Bonds5

About N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 881347) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID881347
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)NC1CC1
InChIInChI=1S/C13H17NOS/c1-10-4-2-3-5-11(10)8-16-9-13(15)14-12-6-7-12/h2-5,12H,6-9H2,1H3,(H,14,15)
InChIKeyZXTKOFMGADFAAC-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 881347) is N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is ZXTKOFMGADFAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10-4-2-3-5-11(10)8-16-9-13(15)14-12-6-7-12/h2-5,12H,6-9H2,1H3,(H,14,15).
What are the key properties of N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 235.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 881347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).