2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide

C16H25NO3S — CID 103933406

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
SMILESCCOc1ccc(SCC(=O)NC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C16H25NO3S/c1-6-20-12-7-9-13(10-8-12)21-11-14(18)17-15(2,3)16(4,5)19/h7-10,19H,6,11H2,1-5H3,(H,17,18)
InChIKeyKMAMWCKPGCGZEN-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.84
Rot. Bonds7

About 2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide

2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide (PubChem CID 103933406) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
PubChem CID103933406
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
SMILESCCOc1ccc(SCC(=O)NC(C)(C)C(C)(C)O)cc1
InChIInChI=1S/C16H25NO3S/c1-6-20-12-7-9-13(10-8-12)21-11-14(18)17-15(2,3)16(4,5)19/h7-10,19H,6,11H2,1-5H3,(H,17,18)
InChIKeyKMAMWCKPGCGZEN-UHFFFAOYSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide (CID 103933406) is 2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide is CCOc1ccc(SCC(=O)NC(C)(C)C(C)(C)O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
The InChIKey is KMAMWCKPGCGZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-6-20-12-7-9-13(10-8-12)21-11-14(18)17-15(2,3)16(4,5)19/h7-10,19H,6,11H2,1-5H3,(H,17,18).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide has a molecular weight of 311.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide is sourced from PubChem (CID 103933406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).