4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide

C20H23N3O2S — CID 55454281

IUPAC4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC(c2ccccc2OC)c2nccn2C)sc1C
InChIInChI=1S/C20H23N3O2S/c1-5-14-12-17(26-13(14)2)20(24)22-18(19-21-10-11-23(19)3)15-8-6-7-9-16(15)25-4/h6-12,18H,5H2,1-4H3,(H,22,24)
InChIKeyVUAPYKRLXVTMDU-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.88
Rot. Bonds6

About 4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide

4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 55454281) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID55454281
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NC(c2ccccc2OC)c2nccn2C)sc1C
InChIInChI=1S/C20H23N3O2S/c1-5-14-12-17(26-13(14)2)20(24)22-18(19-21-10-11-23(19)3)15-8-6-7-9-16(15)25-4/h6-12,18H,5H2,1-4H3,(H,22,24)
InChIKeyVUAPYKRLXVTMDU-UHFFFAOYSA-N
XLogP3.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 47014744
5-acetamido-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 25367569
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 86865733
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide (CID 55454281) is 4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NC(c2ccccc2OC)c2nccn2C)sc1C.
What is the InChIKey of 4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is VUAPYKRLXVTMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-5-14-12-17(26-13(14)2)20(24)22-18(19-21-10-11-23(19)3)15-8-6-7-9-16(15)25-4/h6-12,18H,5H2,1-4H3,(H,22,24).
What are the key properties of 4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide?
4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 55454281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).