2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide

C22H28FNOS — CID 8513553

IUPAC2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CSC12CC3CC(CC(C3)C1)C2)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C22H28FNOS/c23-20-4-2-1-3-18(20)13-24(19-5-6-19)21(25)14-26-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-4,15-17,19H,5-14H2
InChIKeyKYFAHSRJUWRKNW-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.02
Rot. Bonds6

About 2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide

2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 8513553) has the molecular formula C22H28FNOS and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID8513553
Molecular FormulaC22H28FNOS
Molecular Weight373.54 g/mol
Exact Mass373.19
IUPAC Name2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CSC12CC3CC(CC(C3)C1)C2)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C22H28FNOS/c23-20-4-2-1-3-18(20)13-24(19-5-6-19)21(25)14-26-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-4,15-17,19H,5-14H2
InChIKeyKYFAHSRJUWRKNW-UHFFFAOYSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide (CID 8513553) is 2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide is O=C(CSC12CC3CC(CC(C3)C1)C2)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is KYFAHSRJUWRKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNOS/c23-20-4-2-1-3-18(20)13-24(19-5-6-19)21(25)14-26-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-4,15-17,19H,5-14H2.
What are the key properties of 2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 373.54 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylsulfanyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 8513553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).