N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C18H23NO4S — CID 33466694

IUPACN-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N[C@H](C)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C18H23NO4S/c1-12(16-6-5-9-24-16)19-17(20)8-7-13-10-14(21-2)18(23-4)15(11-13)22-3/h5-6,9-12H,7-8H2,1-4H3,(H,19,20)/t12-/m1/s1
InChIKeyXSAWIDJAENNBCN-GFCCVEGCSA-N
MW349.45 g/mol
LogP3.58
Rot. Bonds8

About N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 33466694) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID33466694
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N[C@H](C)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C18H23NO4S/c1-12(16-6-5-9-24-16)19-17(20)8-7-13-10-14(21-2)18(23-4)15(11-13)22-3/h5-6,9-12H,7-8H2,1-4H3,(H,19,20)/t12-/m1/s1
InChIKeyXSAWIDJAENNBCN-GFCCVEGCSA-N
XLogP3.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013665
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55595817
N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090212
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9262362
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
N-(1,1-diphenylpropan-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55588897
3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46628604
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46448506
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
CID 119367644
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 33466694) is N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)N[C@H](C)c2cccs2)cc(OC)c1OC.
What is the InChIKey of N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is XSAWIDJAENNBCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-12(16-6-5-9-24-16)19-17(20)8-7-13-10-14(21-2)18(23-4)15(11-13)22-3/h5-6,9-12H,7-8H2,1-4H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 349.45 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 33466694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).