2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide

C20H25NO3S — CID 43907587

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Sc1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C20H25NO3S/c1-5-17(15-9-7-6-8-10-15)21-20(22)14(2)25-16-11-12-18(23-3)19(13-16)24-4/h6-14,17H,5H2,1-4H3,(H,21,22)
InChIKeyODIRIUFTUBUWTI-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.45
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide

2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide (PubChem CID 43907587) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide
PubChem CID43907587
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide
SMILESCCC(NC(=O)C(C)Sc1ccc(OC)c(OC)c1)c1ccccc1
InChIInChI=1S/C20H25NO3S/c1-5-17(15-9-7-6-8-10-15)21-20(22)14(2)25-16-11-12-18(23-3)19(13-16)24-4/h6-14,17H,5H2,1-4H3,(H,21,22)
InChIKeyODIRIUFTUBUWTI-UHFFFAOYSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94011925
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
CID 28572284
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487492
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92673492
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
CID 92674042
2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
CID 60518630
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
N-[1-(3-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506394
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 94019397
(2R)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 94012194
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 94019708
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 46763249

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide (CID 43907587) is 2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide is CCC(NC(=O)C(C)Sc1ccc(OC)c(OC)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide?
The InChIKey is ODIRIUFTUBUWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-5-17(15-9-7-6-8-10-15)21-20(22)14(2)25-16-11-12-18(23-3)19(13-16)24-4/h6-14,17H,5H2,1-4H3,(H,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide?
2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide has a molecular weight of 359.49 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(1-phenylpropyl)propanamide is sourced from PubChem (CID 43907587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).