3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide

C22H27N3O4S — CID 108753078

IUPAC3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCc2[nH]cnc2-c2cccs2)cc(OCC)c1OCC
InChIInChI=1S/C22H27N3O4S/c1-4-27-17-12-15(13-18(28-5-2)21(17)29-6-3)22(26)23-10-9-16-20(25-14-24-16)19-8-7-11-30-19/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyMMVJOQRBWBTEQW-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.31
Rot. Bonds11

About 3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide

3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide (PubChem CID 108753078) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
PubChem CID108753078
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCc2[nH]cnc2-c2cccs2)cc(OCC)c1OCC
InChIInChI=1S/C22H27N3O4S/c1-4-27-17-12-15(13-18(28-5-2)21(17)29-6-3)22(26)23-10-9-16-20(25-14-24-16)19-8-7-11-30-19/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyMMVJOQRBWBTEQW-UHFFFAOYSA-N
XLogP4.31
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 108729336
[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate
CID 108729293
4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729363
2,6-dimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753068
2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753093
1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea
CID 108729375
3,6-dichloro-2-methoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729299
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 108729429
4-(dimethylamino)-3-nitro-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729318
4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108811342
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
CID 108811525
4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide
CID 108729411

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide (CID 108753078) is 3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide is CCOc1cc(C(=O)NCCc2[nH]cnc2-c2cccs2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
The InChIKey is MMVJOQRBWBTEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-4-27-17-12-15(13-18(28-5-2)21(17)29-6-3)22(26)23-10-9-16-20(25-14-24-16)19-8-7-11-30-19/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide?
3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide has a molecular weight of 429.54 g/mol, XLogP of 4.31, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 108753078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).