N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide

C26H30N2O4S — CID 55967288

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1
InChIInChI=1S/C26H30N2O4S/c1-4-28(18-19-13-14-23(31-2)24(16-19)32-3)26(30)20-8-5-9-21(17-20)27-25(29)12-6-10-22-11-7-15-33-22/h5,7-9,11,13-17H,4,6,10,12,18H2,1-3H3,(H,27,29)
InChIKeyMIESODOXMWQWGD-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.39
Rot. Bonds11

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide (PubChem CID 55967288) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide
PubChem CID55967288
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1
InChIInChI=1S/C26H30N2O4S/c1-4-28(18-19-13-14-23(31-2)24(16-19)32-3)26(30)20-8-5-9-21(17-20)27-25(29)12-6-10-22-11-7-15-33-22/h5,7-9,11,13-17H,4,6,10,12,18H2,1-3H3,(H,27,29)
InChIKeyMIESODOXMWQWGD-UHFFFAOYSA-N
XLogP5.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide
CID 47044022
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113165639
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N,N-diethyl-3-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 31287562
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide
CID 55874316
N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119629762
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55966910
N-[(4-methylsulfonylphenyl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55961656
N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 27901791
N,N-diethyl-3-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 8681454

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide (CID 55967288) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cccc(NC(=O)CCCc2cccs2)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The InChIKey is MIESODOXMWQWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-4-28(18-19-13-14-23(31-2)24(16-19)32-3)26(30)20-8-5-9-21(17-20)27-25(29)12-6-10-22-11-7-15-33-22/h5,7-9,11,13-17H,4,6,10,12,18H2,1-3H3,(H,27,29).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide has a molecular weight of 466.60 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide is sourced from PubChem (CID 55967288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).