N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide

C19H21N3O2S — CID 47014744

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cc(C)c(C)s1)c1nccn1C
InChIInChI=1S/C19H21N3O2S/c1-12-11-16(25-13(12)2)19(23)21-17(18-20-9-10-22(18)3)14-7-5-6-8-15(14)24-4/h5-11,17H,1-4H3,(H,21,23)
InChIKeyWGWATXCFVKNUOM-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.63
Rot. Bonds5

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

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 47014744) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID47014744
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCOc1ccccc1C(NC(=O)c1cc(C)c(C)s1)c1nccn1C
InChIInChI=1S/C19H21N3O2S/c1-12-11-16(25-13(12)2)19(23)21-17(18-20-9-10-22(18)3)14-7-5-6-8-15(14)24-4/h5-11,17H,1-4H3,(H,21,23)
InChIKeyWGWATXCFVKNUOM-UHFFFAOYSA-N
XLogP3.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 55454281
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 86912462
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
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
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
5-[(3-fluorobenzoyl)amino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 55824923
3-(difluoromethoxy)-4-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55759400

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide (CID 47014744) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide is COc1ccccc1C(NC(=O)c1cc(C)c(C)s1)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is WGWATXCFVKNUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-11-16(25-13(12)2)19(23)21-17(18-20-9-10-22(18)3)14-7-5-6-8-15(14)24-4/h5-11,17H,1-4H3,(H,21,23).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 47014744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).