(2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide

C19H29NO3S2 — CID 92684572

IUPAC(2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@H](C)C(=O)NCCSC2CCCCC2)cc1OC
InChIInChI=1S/C19H29NO3S2/c1-14(25-16-9-10-17(22-2)18(13-16)23-3)19(21)20-11-12-24-15-7-5-4-6-8-15/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyVDFSFVJPNHGENN-CQSZACIVSA-N
MW383.58 g/mol
LogP4.37
Rot. Bonds9

About (2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide

(2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide (PubChem CID 92684572) has the molecular formula C19H29NO3S2 and a molecular weight of 383.58 g/mol. Its IUPAC name is (2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
PubChem CID92684572
Molecular FormulaC19H29NO3S2
Molecular Weight383.58 g/mol
Exact Mass383.16
IUPAC Name(2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(S[C@H](C)C(=O)NCCSC2CCCCC2)cc1OC
InChIInChI=1S/C19H29NO3S2/c1-14(25-16-9-10-17(22-2)18(13-16)23-3)19(21)20-11-12-24-15-7-5-4-6-8-15/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyVDFSFVJPNHGENN-CQSZACIVSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.37
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

(2S)-N-(2-cyclopentylsulfanylethyl)-2-phenylsulfanylpropanamide
CID 94101620
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487637
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[2-(dimethylamino)ethyl]propanamide
CID 94013189
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 99951069
(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 125057622
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125042996
2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide
CID 43885751
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 30393573
(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 99939683
1-(2-cyclohexylsulfanylethyl)-3-(2-methoxyphenyl)urea
CID 100747076
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]propanamide
CID 46763937
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 94020280

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide (CID 92684572) is (2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide is COc1ccc(S[C@H](C)C(=O)NCCSC2CCCCC2)cc1OC.
What is the InChIKey of (2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide?
The InChIKey is VDFSFVJPNHGENN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29NO3S2/c1-14(25-16-9-10-17(22-2)18(13-16)23-3)19(21)20-11-12-24-15-7-5-4-6-8-15/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide?
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide has a molecular weight of 383.58 g/mol, XLogP of 4.37, 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-(3,4-dimethoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 92684572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).