2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide

C19H19N3O2S — CID 46812280

IUPAC2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
SMILESCOc1ccc(-n2ccnc2SC(C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14(18(23)21-15-6-4-3-5-7-15)25-19-20-12-13-22(19)16-8-10-17(24-2)11-9-16/h3-14H,1-2H3,(H,21,23)
InChIKeyKCSPFAXLABBVHS-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.00
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide

2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide (PubChem CID 46812280) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
PubChem CID46812280
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
SMILESCOc1ccc(-n2ccnc2SC(C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14(18(23)21-15-6-4-3-5-7-15)25-19-20-12-13-22(19)16-8-10-17(24-2)11-9-16/h3-14H,1-2H3,(H,21,23)
InChIKeyKCSPFAXLABBVHS-UHFFFAOYSA-N
XLogP4.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40506992
(2R)-N-(3-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675396
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 41082545
(2R)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 41156326
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-prop-2-ynylpropanamide
CID 134038367
(2R)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-prop-2-enylpropanamide
CID 40675400
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46687931
N-(2,4-difluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46625433
N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55423839
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 27959873
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 43024266

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide (CID 46812280) is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide is COc1ccc(-n2ccnc2SC(C)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide?
The InChIKey is KCSPFAXLABBVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14(18(23)21-15-6-4-3-5-7-15)25-19-20-12-13-22(19)16-8-10-17(24-2)11-9-16/h3-14H,1-2H3,(H,21,23).
What are the key properties of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide?
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide has a molecular weight of 353.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 46812280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).