(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide

C13H19NO3S — CID 28635203

IUPAC(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide
SMILESCOc1ccc(S[C@H](C)C(=O)N(C)C)cc1OC
InChIInChI=1S/C13H19NO3S/c1-9(13(15)14(2)3)18-10-6-7-11(16-4)12(8-10)17-5/h6-9H,1-5H3/t9-/m1/s1
InChIKeyUXUXSLAKASUNTD-SECBINFHSA-N
MW269.37 g/mol
LogP2.27
Rot. Bonds5

About (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide

(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide (PubChem CID 28635203) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide
PubChem CID28635203
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide
SMILESCOc1ccc(S[C@H](C)C(=O)N(C)C)cc1OC
InChIInChI=1S/C13H19NO3S/c1-9(13(15)14(2)3)18-10-6-7-11(16-4)12(8-10)17-5/h6-9H,1-5H3/t9-/m1/s1
InChIKeyUXUXSLAKASUNTD-SECBINFHSA-N
XLogP2.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[2-(dimethylamino)ethyl]propanamide
CID 94013189
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487492
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
CID 92674042
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide
CID 92683572
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487637
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 94020254
2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 43885604
2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide
CID 43885751
1-(3,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)sulfanylpropan-1-one
CID 60603523
4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]piperazine-1-carbaldehyde
CID 43916108
methyl 3-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-2-methylbenzoate
CID 99952176

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide (CID 28635203) is (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide is COc1ccc(S[C@H](C)C(=O)N(C)C)cc1OC.
What is the InChIKey of (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide?
The InChIKey is UXUXSLAKASUNTD-SECBINFHSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9(13(15)14(2)3)18-10-6-7-11(16-4)12(8-10)17-5/h6-9H,1-5H3/t9-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide?
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide has a molecular weight of 269.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 28635203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).