(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide

C14H21NO2S — CID 39082799

IUPAC(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOCCCNC(=O)[C@H](C)Sc1ccc(C)cc1
InChIInChI=1S/C14H21NO2S/c1-11-5-7-13(8-6-11)18-12(2)14(16)15-9-4-10-17-3/h5-8,12H,4,9-10H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyIWBRSSLWEQQPKD-LBPRGKRZSA-N
MW267.39 g/mol
LogP2.63
Rot. Bonds7

About (2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide

(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 39082799) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID39082799
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOCCCNC(=O)[C@H](C)Sc1ccc(C)cc1
InChIInChI=1S/C14H21NO2S/c1-11-5-7-13(8-6-11)18-12(2)14(16)15-9-4-10-17-3/h5-8,12H,4,9-10H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyIWBRSSLWEQQPKD-LBPRGKRZSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.63
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)-N-(2-methoxyethyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 39082812
2-(4-aminophenyl)sulfanyl-N-(3-methoxypropyl)propanamide
CID 43299392
2-(4-chlorophenyl)sulfanyl-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 134029703
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 30400150
2-(4-aminophenyl)sulfanyl-N-(2-methoxyethyl)propanamide
CID 43299407
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 99999523
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951517
(2S)-N-[2-(3-methylphenoxy)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 30722059
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
2-(4-methylphenyl)sulfanyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 133244583
2-(4-methylphenyl)sulfanyl-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133231200

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 39082799) is (2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide is COCCCNC(=O)[C@H](C)Sc1ccc(C)cc1.
What is the InChIKey of (2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is IWBRSSLWEQQPKD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-5-7-13(8-6-11)18-12(2)14(16)15-9-4-10-17-3/h5-8,12H,4,9-10H2,1-3H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide?
(2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 267.39 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxypropyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 39082799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).