(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide

C18H21NOS2 — CID 9483097

IUPAC(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
SMILESCc1ccc(S[C@H](C)C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C18H21NOS2/c1-14-8-10-17(11-9-14)22-15(2)18(20)19-12-13-21-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyJCSKHKMVBGKRQB-OAHLLOKOSA-N
MW331.51 g/mol
LogP4.38
Rot. Bonds7

About (2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide

(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide (PubChem CID 9483097) has the molecular formula C18H21NOS2 and a molecular weight of 331.51 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
PubChem CID9483097
Molecular FormulaC18H21NOS2
Molecular Weight331.51 g/mol
Exact Mass331.11
IUPAC Name(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
SMILESCc1ccc(S[C@H](C)C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C18H21NOS2/c1-14-8-10-17(11-9-14)22-15(2)18(20)19-12-13-21-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyJCSKHKMVBGKRQB-OAHLLOKOSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150
(2S)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 2279323
(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 39758716
(2S)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173169
(2R)-2-(4-methylphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 9173170
(2R)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812
2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133231200
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082799
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide?
The IUPAC name of (2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide (CID 9483097) is (2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide?
The canonical SMILES for (2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide is Cc1ccc(S[C@H](C)C(=O)NCCSc2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide?
The InChIKey is JCSKHKMVBGKRQB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NOS2/c1-14-8-10-17(11-9-14)22-15(2)18(20)19-12-13-21-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide?
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide has a molecular weight of 331.51 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide is sourced from PubChem (CID 9483097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).