2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone

C22H23N3O4S2 — CID 27376165

IUPAC2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2SCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-16-7-9-18(10-8-16)31(27,28)22-21(23-20(24-22)17-5-3-2-4-6-17)30-15-19(26)25-11-13-29-14-12-25/h2-10H,11-15H2,1H3,(H,23,24)
InChIKeyFTXBRKRDHXZNRC-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.17
Rot. Bonds6

About 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone

2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 27376165) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID27376165
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC Name2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2SCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-16-7-9-18(10-8-16)31(27,28)22-21(23-20(24-22)17-5-3-2-4-6-17)30-15-19(26)25-11-13-29-14-12-25/h2-10H,11-15H2,1H3,(H,23,24)
InChIKeyFTXBRKRDHXZNRC-UHFFFAOYSA-N
XLogP3.17
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 42486651
5-(4-methylphenyl)sulfonyl-4-[[(2S)-oxiran-2-yl]methylsulfanyl]-2-phenyl-1H-imidazole
CID 6549929
2-[[5-chloro-4-(4-methylphenyl)sulfonyl-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 1295639
2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20896139
2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 25239265
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809
2-benzhydrylsulfanyl-1-morpholin-4-ylethanone
CID 4089685
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1080941
3-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinazolin-4-one
CID 3872635
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 8582061
N-(3-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfonyl]acetamide
CID 20896132
2-(4,5-diphenyl-1H-imidazol-2-yl)-1-morpholin-4-ylethanone
CID 54562196

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 27376165) is 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone is Cc1ccc(S(=O)(=O)c2[nH]c(-c3ccccc3)nc2SCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is FTXBRKRDHXZNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-16-7-9-18(10-8-16)31(27,28)22-21(23-20(24-22)17-5-3-2-4-6-17)30-15-19(26)25-11-13-29-14-12-25/h2-10H,11-15H2,1H3,(H,23,24).
What are the key properties of 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 457.58 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methylphenyl)sulfonyl-2-phenyl-1H-imidazol-4-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 27376165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).