N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

C20H32N2O4S2 — CID 30267086

IUPACN-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H32N2O4S2/c1-16(2)26-18-11-9-17(10-12-18)22(28(3,24)25)15-20(23)21-13-14-27-19-7-5-4-6-8-19/h9-12,16,19H,4-8,13-15H2,1-3H3,(H,21,23)
InChIKeyFXIPNFPSEFYSMC-UHFFFAOYSA-N
MW428.62 g/mol
LogP3.42
Rot. Bonds10

About N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (PubChem CID 30267086) has the molecular formula C20H32N2O4S2 and a molecular weight of 428.62 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
PubChem CID30267086
Molecular FormulaC20H32N2O4S2
Molecular Weight428.62 g/mol
Exact Mass428.18
IUPAC NameN-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H32N2O4S2/c1-16(2)26-18-11-9-17(10-12-18)22(28(3,24)25)15-20(23)21-13-14-27-19-7-5-4-6-8-19/h9-12,16,19H,4-8,13-15H2,1-3H3,(H,21,23)
InChIKeyFXIPNFPSEFYSMC-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 100592360
N-(3-cyclohexylsulfanylpropyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 30221942
N-(2-cyclohexylsulfanylethyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 126032115
N-(3-cyclohexylsulfanylpropyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 30219230
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30263560
N-(2-cyclopentylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133161452
N-(3-cyclohexylsulfanylpropyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 30226368
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30263412
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 126031838
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
CID 30271513
N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133239121
N-(3-cyclohexylsulfanylpropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217868

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (CID 30267086) is N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is CC(C)Oc1ccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The InChIKey is FXIPNFPSEFYSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S2/c1-16(2)26-18-11-9-17(10-12-18)22(28(3,24)25)15-20(23)21-13-14-27-19-7-5-4-6-8-19/h9-12,16,19H,4-8,13-15H2,1-3H3,(H,21,23).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide has a molecular weight of 428.62 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 30267086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).