2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide

C15H22ClNOS — CID 693975

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)CSc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H22ClNOS/c1-10(2)15(11(3)4)17-14(18)9-19-13-7-5-12(16)6-8-13/h5-8,10-11,15H,9H2,1-4H3,(H,17,18)
InChIKeyRMZFPBSMQNZROV-UHFFFAOYSA-N
MW299.87 g/mol
LogP4.23
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide (PubChem CID 693975) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide
PubChem CID693975
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)CSc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H22ClNOS/c1-10(2)15(11(3)4)17-14(18)9-19-13-7-5-12(16)6-8-13/h5-8,10-11,15H,9H2,1-4H3,(H,17,18)
InChIKeyRMZFPBSMQNZROV-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide (CID 693975) is 2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide is CC(C)C(NC(=O)CSc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide?
The InChIKey is RMZFPBSMQNZROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-10(2)15(11(3)4)17-14(18)9-19-13-7-5-12(16)6-8-13/h5-8,10-11,15H,9H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide has a molecular weight of 299.87 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 693975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).