N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide

C18H19N3O2S — CID 47045489

IUPACN-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C18H19N3O2S/c22-18(5-4-15-6-11-24-13-15)20-16-2-1-3-17(12-16)23-10-9-21-8-7-19-14-21/h1-3,6-8,11-14H,4-5,9-10H2,(H,20,22)
InChIKeyGWSJJODNUNCQCN-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.59
Rot. Bonds8

About N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide

N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide (PubChem CID 47045489) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide
PubChem CID47045489
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)Nc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C18H19N3O2S/c22-18(5-4-15-6-11-24-13-15)20-16-2-1-3-17(12-16)23-10-9-21-8-7-19-14-21/h1-3,6-8,11-14H,4-5,9-10H2,(H,20,22)
InChIKeyGWSJJODNUNCQCN-UHFFFAOYSA-N
XLogP3.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[3-[3-(2-imidazol-1-ylethoxy)anilino]-3-oxopropyl]benzamide
CID 166187077
N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide
CID 166200337
N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methoxybenzamide
CID 47045466
(1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide
CID 94613242
N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide
CID 166200331
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea
CID 99833540
N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 81485538
methyl 2-[2-[[3-(2-imidazol-1-ylethoxy)phenyl]carbamoyl]phenyl]sulfanylpropanoate
CID 167881794
N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-methyl-3-nitrobenzamide
CID 47045463
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218
N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid
CID 154889376
4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880866

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide (CID 47045489) is N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)Nc1cccc(OCCn2ccnc2)c1.
What is the InChIKey of N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide?
The InChIKey is GWSJJODNUNCQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-18(5-4-15-6-11-24-13-15)20-16-2-1-3-17(12-16)23-10-9-21-8-7-19-14-21/h1-3,6-8,11-14H,4-5,9-10H2,(H,20,22).
What are the key properties of N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide?
N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide has a molecular weight of 341.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 47045489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).