N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide

C13H17NOS — CID 2948463

IUPACN-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C13H17NOS/c1-9-3-7-12(8-4-9)16-10(2)13(15)14-11-5-6-11/h3-4,7-8,10-11H,5-6H2,1-2H3,(H,14,15)
InChIKeyXKEGMAMQSXUCGO-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.75
Rot. Bonds4

About N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide

N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2948463) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID2948463
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C13H17NOS/c1-9-3-7-12(8-4-9)16-10(2)13(15)14-11-5-6-11/h3-4,7-8,10-11H,5-6H2,1-2H3,(H,14,15)
InChIKeyXKEGMAMQSXUCGO-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide (CID 2948463) is N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is XKEGMAMQSXUCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9-3-7-12(8-4-9)16-10(2)13(15)14-11-5-6-11/h3-4,7-8,10-11H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide?
N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 235.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2948463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).