[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate

C18H17N3O3S — CID 108729293

IUPAC[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)NCCc2[nH]cnc2-c2cccs2)cc1
InChIInChI=1S/C18H17N3O3S/c1-12(22)24-14-6-4-13(5-7-14)18(23)19-9-8-15-17(21-11-20-15)16-3-2-10-25-16/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H,20,21)
InChIKeyQNDYYTNURJAUOO-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.04
Rot. Bonds6

About [4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate

[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate (PubChem CID 108729293) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is [4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate
PubChem CID108729293
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)NCCc2[nH]cnc2-c2cccs2)cc1
InChIInChI=1S/C18H17N3O3S/c1-12(22)24-14-6-4-13(5-7-14)18(23)19-9-8-15-17(21-11-20-15)16-3-2-10-25-16/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H,20,21)
InChIKeyQNDYYTNURJAUOO-UHFFFAOYSA-N
XLogP3.04
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 108729336
4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729363
3,4,5-triethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753078
2,6-dimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753068
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
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
4-(4-methylphenyl)-4-oxo-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]butanamide
CID 108729411
4-(6-methyl-4-oxochromen-2-yl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108811342
2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753093
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
CID 108811525

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate?
The IUPAC name of [4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate (CID 108729293) is [4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate?
The canonical SMILES for [4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)NCCc2[nH]cnc2-c2cccs2)cc1.
What is the InChIKey of [4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate?
The InChIKey is QNDYYTNURJAUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12(22)24-14-6-4-13(5-7-14)18(23)19-9-8-15-17(21-11-20-15)16-3-2-10-25-16/h2-7,10-11H,8-9H2,1H3,(H,19,23)(H,20,21).
What are the key properties of [4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate?
[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate has a molecular weight of 355.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 108729293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).