3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide

C20H25NO3S — CID 55923389

IUPAC3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide
SMILESCOc1ccc(OC)c(C=CC(=O)NC(CC(C)C)c2cccs2)c1
InChIInChI=1S/C20H25NO3S/c1-14(2)12-17(19-6-5-11-25-19)21-20(22)10-7-15-13-16(23-3)8-9-18(15)24-4/h5-11,13-14,17H,12H2,1-4H3,(H,21,22)
InChIKeyHUIULQFGFQTYHB-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.68
Rot. Bonds8

About 3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide

3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide (PubChem CID 55923389) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide
PubChem CID55923389
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide
SMILESCOc1ccc(OC)c(C=CC(=O)NC(CC(C)C)c2cccs2)c1
InChIInChI=1S/C20H25NO3S/c1-14(2)12-17(19-6-5-11-25-19)21-20(22)10-7-15-13-16(23-3)8-9-18(15)24-4/h5-11,13-14,17H,12H2,1-4H3,(H,21,22)
InChIKeyHUIULQFGFQTYHB-UHFFFAOYSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 732638
(E)-3-(2,5-dimethoxyphenyl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 51144624
(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyridin-2-ylprop-2-enamide
CID 87037908
(E)-3-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 26310956
(E)-N-[(1R)-1-(1-adamantyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7929601
(E)-3-(2,5-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]prop-2-enamide
CID 8779040
(E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide
CID 9050989
3-(difluoromethoxy)-4-methoxy-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
CID 55921720
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylprop-2-enamide
CID 28576382
(E)-3-(2,5-dimethoxyphenyl)-N-[2-(methylamino)-2-oxoethoxy]prop-2-enamide
CID 110495704
methyl 3-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-thiophen-2-ylpropanoate
CID 134033581

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide (CID 55923389) is 3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide is COc1ccc(OC)c(C=CC(=O)NC(CC(C)C)c2cccs2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide?
The InChIKey is HUIULQFGFQTYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-14(2)12-17(19-6-5-11-25-19)21-20(22)10-7-15-13-16(23-3)8-9-18(15)24-4/h5-11,13-14,17H,12H2,1-4H3,(H,21,22).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide?
3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide has a molecular weight of 359.49 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(3-methyl-1-thiophen-2-ylbutyl)prop-2-enamide is sourced from PubChem (CID 55923389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).