N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide

C16H19NO3S — CID 52570846

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCOc1cc(CNC(=O)CCc2cccs2)cc(OC)c1
InChIInChI=1S/C16H19NO3S/c1-19-13-8-12(9-14(10-13)20-2)11-17-16(18)6-5-15-4-3-7-21-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,17,18)
InChIKeyLYSRSXNZMMKYDX-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.01
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide

N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 52570846) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID52570846
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCOc1cc(CNC(=O)CCc2cccs2)cc(OC)c1
InChIInChI=1S/C16H19NO3S/c1-19-13-8-12(9-14(10-13)20-2)11-17-16(18)6-5-15-4-3-7-21-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,17,18)
InChIKeyLYSRSXNZMMKYDX-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

3-(3,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 51230163
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732
3-(3,5-dimethoxyphenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 51127201
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 34640507
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
CID 9112024
3-(3-bromo-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 35678444
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
CID 17391517
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46590390

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide (CID 52570846) is N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide is COc1cc(CNC(=O)CCc2cccs2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is LYSRSXNZMMKYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-19-13-8-12(9-14(10-13)20-2)11-17-16(18)6-5-15-4-3-7-21-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide?
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide 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 N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 52570846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).