2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide

C14H19NO3S — CID 43885751

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Sc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19NO3S/c1-5-8-15-14(16)10(2)19-11-6-7-12(17-3)13(9-11)18-4/h5-7,9-10H,1,8H2,2-4H3,(H,15,16)
InChIKeyNCBKPZCYFHDGHD-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.49
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide

2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide (PubChem CID 43885751) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide
PubChem CID43885751
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Sc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19NO3S/c1-5-8-15-14(16)10(2)19-11-6-7-12(17-3)13(9-11)18-4/h5-7,9-10H,1,8H2,2-4H3,(H,15,16)
InChIKeyNCBKPZCYFHDGHD-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[2-(dimethylamino)ethyl]propanamide
CID 94013189
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487637
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
CID 92674042
2-(3-aminophenyl)sulfanyl-N-prop-2-enylpropanamide
CID 79134025
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 94020254
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 94020280
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]propanamide
CID 46763937
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487492
2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide
CID 61066639
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 92684572
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
4-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylpyridine-2-carboxylic acid
CID 79554308

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide (CID 43885751) is 2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Sc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide?
The InChIKey is NCBKPZCYFHDGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-5-8-15-14(16)10(2)19-11-6-7-12(17-3)13(9-11)18-4/h5-7,9-10H,1,8H2,2-4H3,(H,15,16).
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide?
2-(3,4-dimethoxyphenyl)sulfanyl-N-prop-2-enylpropanamide has a molecular weight of 281.38 g/mol, XLogP of 2.49, 7 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-prop-2-enylpropanamide is sourced from PubChem (CID 43885751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).