N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide

C19H21N3OS — CID 50847638

IUPACN-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide
SMILESCCc1nc(C)cn1-c1ccc(CNC(=O)c2sccc2C)cc1
InChIInChI=1S/C19H21N3OS/c1-4-17-21-14(3)12-22(17)16-7-5-15(6-8-16)11-20-19(23)18-13(2)9-10-24-18/h5-10,12H,4,11H2,1-3H3,(H,20,23)
InChIKeyBAWWPEWDLNZILZ-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.04
Rot. Bonds5

About N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide

N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide (PubChem CID 50847638) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide
PubChem CID50847638
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide
SMILESCCc1nc(C)cn1-c1ccc(CNC(=O)c2sccc2C)cc1
InChIInChI=1S/C19H21N3OS/c1-4-17-21-14(3)12-22(17)16-7-5-15(6-8-16)11-20-19(23)18-13(2)9-10-24-18/h5-10,12H,4,11H2,1-3H3,(H,20,23)
InChIKeyBAWWPEWDLNZILZ-UHFFFAOYSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]cyclobutanecarboxamide
CID 50847605
4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628129
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 112530043
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 47344953
N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide
CID 107233687
N-[[3-(chloromethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 113272785
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-benzyl-1,4-dimethylimidazole-2-carboxamide
CID 145376007
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119505169
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide (CID 50847638) is N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide is CCc1nc(C)cn1-c1ccc(CNC(=O)c2sccc2C)cc1.
What is the InChIKey of N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is BAWWPEWDLNZILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-4-17-21-14(3)12-22(17)16-7-5-15(6-8-16)11-20-19(23)18-13(2)9-10-24-18/h5-10,12H,4,11H2,1-3H3,(H,20,23).
What are the key properties of N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide?
N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethyl-4-methylimidazol-1-yl)phenyl]methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 50847638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).