3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide

C16H19NO3S — CID 51230163

IUPAC3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2cccs2)cc(OC)c1
InChIInChI=1S/C16H19NO3S/c1-19-13-8-12(9-14(10-13)20-2)5-6-16(18)17-11-15-4-3-7-21-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,17,18)
InChIKeyXIAVLOITWVQBPN-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.01
Rot. Bonds7

About 3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide

3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 51230163) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID51230163
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2cccs2)cc(OC)c1
InChIInChI=1S/C16H19NO3S/c1-19-13-8-12(9-14(10-13)20-2)5-6-16(18)17-11-15-4-3-7-21-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,17,18)
InChIKeyXIAVLOITWVQBPN-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 35678444
3-(3,5-dimethoxyphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 51127201
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
3-(3,5-dimethoxyphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 46628604
3-[(3,4-dimethoxyphenyl)methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 50969709
N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 9082319
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 71840750
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide (CID 51230163) is 3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide is COc1cc(CCC(=O)NCc2cccs2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is XIAVLOITWVQBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-19-13-8-12(9-14(10-13)20-2)5-6-16(18)17-11-15-4-3-7-21-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,17,18).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide?
3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 305.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 51230163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).