(2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C19H30N2O4S2 — CID 126031838

IUPAC(2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H30N2O4S2/c1-15(19(22)20-13-14-26-18-7-5-4-6-8-18)21(27(3,23)24)16-9-11-17(25-2)12-10-16/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyOSYJMVRWIVSRGY-OAHLLOKOSA-N
MW414.59 g/mol
LogP3.03
Rot. Bonds9

About (2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

(2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 126031838) has the molecular formula C19H30N2O4S2 and a molecular weight of 414.59 g/mol. Its IUPAC name is (2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID126031838
Molecular FormulaC19H30N2O4S2
Molecular Weight414.59 g/mol
Exact Mass414.16
IUPAC Name(2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H30N2O4S2/c1-15(19(22)20-13-14-26-18-7-5-4-6-8-18)21(27(3,23)24)16-9-11-17(25-2)12-10-16/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,20,22)/t15-/m1/s1
InChIKeyOSYJMVRWIVSRGY-OAHLLOKOSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.03
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-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 125057622
N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133239121
N-(2-cyclopentylsulfanylethyl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 133160933
N-(2-cyclohexylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 133170726
(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 100583996
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575
(2R)-N-(2-cyclopentylsulfanylethyl)-2-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 125052023
(2S)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-cyclopentylsulfanylethyl)propanamide
CID 100774043
(2R)-N-(3-ethoxypropyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 126124356
N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30267086
(2R)-N-cyclohexyl-2-(4-methoxy-N-methylsulfonylanilino)-N-methylpropanamide
CID 99958114
N-(2-cyclopentylsulfanylethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133161452

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 126031838) is (2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N([C@H](C)C(=O)NCCSC2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is OSYJMVRWIVSRGY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N2O4S2/c1-15(19(22)20-13-14-26-18-7-5-4-6-8-18)21(27(3,23)24)16-9-11-17(25-2)12-10-16/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 414.59 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 126031838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).