2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide

C15H23NOS — CID 977428

IUPAC2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C15H23NOS/c1-4-10-16(11-5-2)15(17)12-18-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyFTEQUFHTGSLUFN-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.74
Rot. Bonds7

About 2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide

2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide (PubChem CID 977428) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide
PubChem CID977428
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSc1ccc(C)cc1
InChIInChI=1S/C15H23NOS/c1-4-10-16(11-5-2)15(17)12-18-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyFTEQUFHTGSLUFN-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide (CID 977428) is 2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide is CCCN(CCC)C(=O)CSc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide?
The InChIKey is FTEQUFHTGSLUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-10-16(11-5-2)15(17)12-18-14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide?
2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide has a molecular weight of 265.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N,N-dipropylacetamide is sourced from PubChem (CID 977428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).