5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide

C24H22N4O3S — CID 58816374

IUPAC5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cn4ccnc4)cc3)s2)c(C)c1
InChIInChI=1S/C24H22N4O3S/c1-16-13-19(31-2)7-8-20(16)27-24(30)22-10-9-21(32-22)23(29)26-18-5-3-17(4-6-18)14-28-12-11-25-15-28/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyBIOLGAYSNQGHES-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.81
Rot. Bonds7

About 5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide

5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide (PubChem CID 58816374) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide
PubChem CID58816374
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cn4ccnc4)cc3)s2)c(C)c1
InChIInChI=1S/C24H22N4O3S/c1-16-13-19(31-2)7-8-20(16)27-24(30)22-10-9-21(32-22)23(29)26-18-5-3-17(4-6-18)14-28-12-11-25-15-28/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyBIOLGAYSNQGHES-UHFFFAOYSA-N
XLogP4.81
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide with MolForge

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Related Compounds

5-N-(1,3-benzothiazol-5-yl)-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide
CID 58816268
N-[4-(imidazol-1-ylmethyl)phenyl]-7-methoxy-4-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 46230880
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
5-(ethylamino)-N-(4-methoxy-2-methylphenyl)pyridine-2-carboxamide
CID 104641184
methyl 3-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-4-methoxybenzoate
CID 100539709
N-[4-(imidazol-1-ylmethyl)phenyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]acetamide
CID 59597676
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94867540
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
N'-[4-(imidazol-1-ylmethyl)benzoyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78876010
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
N-[2-[4-(imidazol-1-ylmethyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 155945580
1-[(2,4-dimethylbenzoyl)amino]-3-[4-(imidazol-1-ylmethyl)phenyl]urea
CID 166211543

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide (CID 58816374) is 5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide is COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Cn4ccnc4)cc3)s2)c(C)c1.
What is the InChIKey of 5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide?
The InChIKey is BIOLGAYSNQGHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-16-13-19(31-2)7-8-20(16)27-24(30)22-10-9-21(32-22)23(29)26-18-5-3-17(4-6-18)14-28-12-11-25-15-28/h3-13,15H,14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide?
5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(imidazol-1-ylmethyl)phenyl]-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 58816374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).