(2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide

C21H21N3O3S — CID 40506992

IUPAC(2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-14(25)16-4-6-17(7-5-16)23-20(26)15(2)28-21-22-12-13-24(21)18-8-10-19(27-3)11-9-18/h4-13,15H,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyXHCYPRGTGGSQPM-OAHLLOKOSA-N
MW395.48 g/mol
LogP4.20
Rot. Bonds7

About (2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide

(2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 40506992) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID40506992
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name(2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-14(25)16-4-6-17(7-5-16)23-20(26)15(2)28-21-22-12-13-24(21)18-8-10-19(27-3)11-9-18/h4-13,15H,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyXHCYPRGTGGSQPM-OAHLLOKOSA-N
XLogP4.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280
N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide
CID 46812896
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
(2R)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 41156326
(2R)-N-(3-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675396
4-[[(2R)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanoyl]amino]benzamide
CID 40809539
(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
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 41082545
N-(2,4-difluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46625433
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-prop-2-ynylpropanamide
CID 134038367
N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 55423839

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (CID 40506992) is (2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is XHCYPRGTGGSQPM-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14(25)16-4-6-17(7-5-16)23-20(26)15(2)28-21-22-12-13-24(21)18-8-10-19(27-3)11-9-18/h4-13,15H,1-3H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
(2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 395.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 40506992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).