N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide

C21H23N3O3S — CID 51235651

IUPACN-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)C(C)Sc1nccn1-c1cccc(OC)c1
InChIInChI=1S/C21H23N3O3S/c1-4-27-19-11-6-5-10-18(19)23-20(25)15(2)28-21-22-12-13-24(21)16-8-7-9-17(14-16)26-3/h5-15H,4H2,1-3H3,(H,23,25)
InChIKeyALYJBYIOKVSUTA-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.40
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide

N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 51235651) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID51235651
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)C(C)Sc1nccn1-c1cccc(OC)c1
InChIInChI=1S/C21H23N3O3S/c1-4-27-19-11-6-5-10-18(19)23-20(25)15(2)28-21-22-12-13-24(21)16-8-7-9-17(14-16)26-3/h5-15H,4H2,1-3H3,(H,23,25)
InChIKeyALYJBYIOKVSUTA-UHFFFAOYSA-N
XLogP4.40
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4092411
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 43027335
N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 43015285
(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide
CID 25390555
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 41082545
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 43024266
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 46621001
N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46677166
N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55358907
N-(2,4-difluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46625433

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (CID 51235651) is N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is CCOc1ccccc1NC(=O)C(C)Sc1nccn1-c1cccc(OC)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is ALYJBYIOKVSUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-27-19-11-6-5-10-18(19)23-20(25)15(2)28-21-22-12-13-24(21)16-8-7-9-17(14-16)26-3/h5-15H,4H2,1-3H3,(H,23,25).
What are the key properties of N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 397.50 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 51235651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).