(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide

C19H23NO2S2 — CID 30400150

IUPAC(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
SMILESCOc1ccc(S[C@H](C)C(=O)NCCSc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO2S2/c1-14-4-8-17(9-5-14)23-13-12-20-19(21)15(2)24-18-10-6-16(22-3)7-11-18/h4-11,15H,12-13H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyMMUMECVEJDJSLV-OAHLLOKOSA-N
MW361.53 g/mol
LogP4.39
Rot. Bonds8

About (2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide

(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide (PubChem CID 30400150) has the molecular formula C19H23NO2S2 and a molecular weight of 361.53 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
PubChem CID30400150
Molecular FormulaC19H23NO2S2
Molecular Weight361.53 g/mol
Exact Mass361.12
IUPAC Name(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
SMILESCOc1ccc(S[C@H](C)C(=O)NCCSc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO2S2/c1-14-4-8-17(9-5-14)23-13-12-20-19(21)15(2)24-18-10-6-16(22-3)7-11-18/h4-11,15H,12-13H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyMMUMECVEJDJSLV-OAHLLOKOSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.39
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

(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 94012975
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133231200
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 94019397

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The IUPAC name of (2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide (CID 30400150) is (2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide is COc1ccc(S[C@H](C)C(=O)NCCSc2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
The InChIKey is MMUMECVEJDJSLV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23NO2S2/c1-14-4-8-17(9-5-14)23-13-12-20-19(21)15(2)24-18-10-6-16(22-3)7-11-18/h4-11,15H,12-13H2,1-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide?
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide has a molecular weight of 361.53 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide is sourced from PubChem (CID 30400150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).