3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide

C17H21NO3S — CID 110660107

IUPAC3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(C)c(C)s2)cc1OC
InChIInChI=1S/C17H21NO3S/c1-11-9-17(22-12(11)2)18-16(19)8-6-13-5-7-14(20-3)15(10-13)21-4/h5,7,9-10H,6,8H2,1-4H3,(H,18,19)
InChIKeyIUFDAXCHAZQNKF-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.95
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide

3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide (PubChem CID 110660107) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide
PubChem CID110660107
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(C)c(C)s2)cc1OC
InChIInChI=1S/C17H21NO3S/c1-11-9-17(22-12(11)2)18-16(19)8-6-13-5-7-14(20-3)15(10-13)21-4/h5,7,9-10H,6,8H2,1-4H3,(H,18,19)
InChIKeyIUFDAXCHAZQNKF-UHFFFAOYSA-N
XLogP3.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
2-[3-(3,4-dimethoxyphenyl)propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 28860295
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
3-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)propanamide
CID 26727200
N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28867446
N-(2-amino-2-ethylbutyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119643560
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide (CID 110660107) is 3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide is COc1ccc(CCC(=O)Nc2cc(C)c(C)s2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide?
The InChIKey is IUFDAXCHAZQNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-11-9-17(22-12(11)2)18-16(19)8-6-13-5-7-14(20-3)15(10-13)21-4/h5,7,9-10H,6,8H2,1-4H3,(H,18,19).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide has a molecular weight of 319.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(4,5-dimethylthiophen-2-yl)propanamide is sourced from PubChem (CID 110660107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).