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

C23H29N3O2S — CID 55358907

IUPACN-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1cccc(-n2ccnc2SC(C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H29N3O2S/c1-15(21(27)25-23-12-16-8-17(13-23)10-18(9-16)14-23)29-22-24-6-7-26(22)19-4-3-5-20(11-19)28-2/h3-7,11,15-18H,8-10,12-14H2,1-2H3,(H,25,27)
InChIKeyDTTIMBARRFYXPB-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.45
Rot. Bonds6

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

N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 55358907) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID55358907
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCOc1cccc(-n2ccnc2SC(C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H29N3O2S/c1-15(21(27)25-23-12-16-8-17(13-23)10-18(9-16)14-23)29-22-24-6-7-26(22)19-4-3-5-20(11-19)28-2/h3-7,11,15-18H,8-10,12-14H2,1-2H3,(H,25,27)
InChIKeyDTTIMBARRFYXPB-UHFFFAOYSA-N
XLogP4.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 43024266
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51235651
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-cyclopentylpropanamide
CID 46811464
N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide
CID 33297739
N-cyclopentyl-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46806828
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-methylpropanamide
CID 37286849
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N,2-diphenylacetamide
CID 18285524
(2R)-N-(3-fluorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40675396
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306584

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide (CID 55358907) is N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is COc1cccc(-n2ccnc2SC(C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is DTTIMBARRFYXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-15(21(27)25-23-12-16-8-17(13-23)10-18(9-16)14-23)29-22-24-6-7-26(22)19-4-3-5-20(11-19)28-2/h3-7,11,15-18H,8-10,12-14H2,1-2H3,(H,25,27).
What are the key properties of N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide?
N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 411.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 55358907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).