N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide

C16H22F2N2O3S2 — CID 100592360

IUPACN-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H22F2N2O3S2/c1-25(22,23)20(12-6-7-14(17)15(18)10-12)11-16(21)19-8-9-24-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,19,21)
InChIKeyFTBKCSTWNFMFAV-UHFFFAOYSA-N
MW392.49 g/mol
LogP2.52
Rot. Bonds8

About N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide

N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide (PubChem CID 100592360) has the molecular formula C16H22F2N2O3S2 and a molecular weight of 392.49 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
PubChem CID100592360
Molecular FormulaC16H22F2N2O3S2
Molecular Weight392.49 g/mol
Exact Mass392.10
IUPAC NameN-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H22F2N2O3S2/c1-25(22,23)20(12-6-7-14(17)15(18)10-12)11-16(21)19-8-9-24-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,19,21)
InChIKeyFTBKCSTWNFMFAV-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 126032115
N-(3-cyclohexylsulfanylpropyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 30221942
N-(3-cyclohexylsulfanylpropyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 30219230
N-(2-cyclohexylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 133170726
N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30267086
N-(3-cyclohexylsulfanylpropyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 30226368
N-(3-cyclohexylsulfanylpropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217868
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7443283
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 9172892
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113157688
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30252886
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 126029711

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide (CID 100592360) is N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is FTBKCSTWNFMFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3S2/c1-25(22,23)20(12-6-7-14(17)15(18)10-12)11-16(21)19-8-9-24-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide?
N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 392.49 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 100592360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).