N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

C26H26N4O3S — CID 53082336

IUPACN-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
SMILESCc1ccc(CNC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccc(C)o3)cc2)cc1
InChIInChI=1S/C26H26N4O3S/c1-18-3-6-20(7-4-18)15-28-24(31)17-34-26-27-13-14-30(26)22-10-8-21(9-11-22)25(32)29-16-23-12-5-19(2)33-23/h3-14H,15-17H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyAYGXTJGOQQVSBM-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.42
Rot. Bonds9

About N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide

N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide (PubChem CID 53082336) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
PubChem CID53082336
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
SMILESCc1ccc(CNC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccc(C)o3)cc2)cc1
InChIInChI=1S/C26H26N4O3S/c1-18-3-6-20(7-4-18)15-28-24(31)17-34-26-27-13-14-30(26)22-10-8-21(9-11-22)25(32)29-16-23-12-5-19(2)33-23/h3-14H,15-17H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyAYGXTJGOQQVSBM-UHFFFAOYSA-N
XLogP4.42
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082231
N-butyl-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082361
4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide
CID 53082274
N-[(4-chlorophenyl)methyl]-4-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53043426
N-[(5-methylfuran-2-yl)methyl]-3-[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylimidazol-1-yl]benzamide
CID 50789137
3-[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 50789150
4-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53082289
N-(furan-2-ylmethyl)-4-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082366
3-[2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-[(4-methylphenyl)methyl]benzamide
CID 46335268
4-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 53082382
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 18161956
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 18163998

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide (CID 53082336) is N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide is Cc1ccc(CNC(=O)CSc2nccn2-c2ccc(C(=O)NCc3ccc(C)o3)cc2)cc1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide?
The InChIKey is AYGXTJGOQQVSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-18-3-6-20(7-4-18)15-28-24(31)17-34-26-27-13-14-30(26)22-10-8-21(9-11-22)25(32)29-16-23-12-5-19(2)33-23/h3-14H,15-17H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide?
N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide has a molecular weight of 474.59 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide is sourced from PubChem (CID 53082336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).