N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide

C20H32N2O4S2 — CID 133239121

IUPACN-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCSC1CCCCC1)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C20H32N2O4S2/c1-4-19(20(23)21-14-15-27-18-8-6-5-7-9-18)22(28(3,24)25)16-10-12-17(26-2)13-11-16/h10-13,18-19H,4-9,14-15H2,1-3H3,(H,21,23)
InChIKeyCVEZGIPYEDVWSR-UHFFFAOYSA-N
MW428.62 g/mol
LogP3.42
Rot. Bonds10

About N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide

N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 133239121) has the molecular formula C20H32N2O4S2 and a molecular weight of 428.62 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID133239121
Molecular FormulaC20H32N2O4S2
Molecular Weight428.62 g/mol
Exact Mass428.18
IUPAC NameN-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCSC1CCCCC1)N(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C20H32N2O4S2/c1-4-19(20(23)21-14-15-27-18-8-6-5-7-9-18)22(28(3,24)25)16-10-12-17(26-2)13-11-16/h10-13,18-19H,4-9,14-15H2,1-3H3,(H,21,23)
InChIKeyCVEZGIPYEDVWSR-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

(2R)-N-(2-cyclopentylsulfanylethyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 125052023
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 126031838
2-(3-chloro-N-methylsulfonylanilino)-N-(2-cyclopentylsulfanylethyl)butanamide
CID 133199188
N-(2-cyclopentylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133161452
(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 125057622
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 95118747
N-(2-cyclopentylsulfanylethyl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 133160933
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133252110
N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30267086
N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132671766
N-(2-cyclohexylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 133170726
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide (CID 133239121) is N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide is CCC(C(=O)NCCSC1CCCCC1)N(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is CVEZGIPYEDVWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S2/c1-4-19(20(23)21-14-15-27-18-8-6-5-7-9-18)22(28(3,24)25)16-10-12-17(26-2)13-11-16/h10-13,18-19H,4-9,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide?
N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide 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-(4-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 133239121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).