2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide

C15H22FNO2S — CID 95984631

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide
SMILESCC(C)(C)[C@@H](O)CCNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2S/c1-15(2,3)13(18)8-9-17-14(19)10-20-12-6-4-11(16)5-7-12/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyGHONSYLKKBLRBL-ZDUSSCGKSA-N
MW299.41 g/mol
LogP2.83
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide (PubChem CID 95984631) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide
PubChem CID95984631
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide
SMILESCC(C)(C)[C@@H](O)CCNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H22FNO2S/c1-15(2,3)13(18)8-9-17-14(19)10-20-12-6-4-11(16)5-7-12/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyGHONSYLKKBLRBL-ZDUSSCGKSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide (CID 95984631) is 2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide is CC(C)(C)[C@@H](O)CCNC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide?
The InChIKey is GHONSYLKKBLRBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-15(2,3)13(18)8-9-17-14(19)10-20-12-6-4-11(16)5-7-12/h4-7,13,18H,8-10H2,1-3H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide has a molecular weight of 299.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]acetamide is sourced from PubChem (CID 95984631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).