2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide

C18H21F2NOS — CID 8513122

IUPAC2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide
SMILESO=C(CSC12CC3CC(CC(C3)C1)C2)Nc1cc(F)ccc1F
InChIInChI=1S/C18H21F2NOS/c19-14-1-2-15(20)16(6-14)21-17(22)10-23-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H,21,22)
InChIKeyPKSCACWCMJEYBI-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.61
Rot. Bonds4

About 2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide

2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide (PubChem CID 8513122) has the molecular formula C18H21F2NOS and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide
PubChem CID8513122
Molecular FormulaC18H21F2NOS
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide
SMILESO=C(CSC12CC3CC(CC(C3)C1)C2)Nc1cc(F)ccc1F
InChIInChI=1S/C18H21F2NOS/c19-14-1-2-15(20)16(6-14)21-17(22)10-23-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H,21,22)
InChIKeyPKSCACWCMJEYBI-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360297
2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 8512864
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767
2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119933718
4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
CID 79132015
2-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 105354025
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 16604417
N-(2,5-difluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
CID 7457680
[2-(2,5-difluoroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 8818244
N-(2,5-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60642566

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide (CID 8513122) is 2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide is O=C(CSC12CC3CC(CC(C3)C1)C2)Nc1cc(F)ccc1F.
What is the InChIKey of 2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide?
The InChIKey is PKSCACWCMJEYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NOS/c19-14-1-2-15(20)16(6-14)21-17(22)10-23-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H,21,22).
What are the key properties of 2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide?
2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide has a molecular weight of 337.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 8513122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).