N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

C24H28N4O3S — CID 31429584

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cnc(SC)n2-c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3S/c1-30-20-10-8-18(9-11-20)21(27-12-14-31-15-13-27)16-25-23(29)22-17-26-24(32-2)28(22)19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3,(H,25,29)/t21-/m1/s1
InChIKeyXHIOSBABAHJWFQ-OAQYLSRUSA-N
MW452.58 g/mol
LogP3.41
Rot. Bonds8

About N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (PubChem CID 31429584) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
PubChem CID31429584
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cnc(SC)n2-c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C24H28N4O3S/c1-30-20-10-8-18(9-11-20)21(27-12-14-31-15-13-27)16-25-23(29)22-17-26-24(32-2)28(22)19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3,(H,25,29)/t21-/m1/s1
InChIKeyXHIOSBABAHJWFQ-OAQYLSRUSA-N
XLogP3.41
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 31429586
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55754690
1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 31909068
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 31429944
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 17467172
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
CID 95343423
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (CID 31429584) is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is COc1ccc([C@@H](CNC(=O)c2cnc(SC)n2-c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The InChIKey is XHIOSBABAHJWFQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-30-20-10-8-18(9-11-20)21(27-12-14-31-15-13-27)16-25-23(29)22-17-26-24(32-2)28(22)19-6-4-3-5-7-19/h3-11,17,21H,12-16H2,1-2H3,(H,25,29)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 31429584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).