N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide

C18H17Cl2N3O3S2 — CID 2148855

IUPACN-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O3S2/c1-12(24)22-15-4-6-16(7-5-15)28(25,26)23-9-8-21-18(23)27-11-13-2-3-14(19)10-17(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,24)
InChIKeyIRKWEOAGDBUIOW-UHFFFAOYSA-N
MW458.39 g/mol
LogP4.25
Rot. Bonds5

About N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide

N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide (PubChem CID 2148855) has the molecular formula C18H17Cl2N3O3S2 and a molecular weight of 458.39 g/mol. Its IUPAC name is N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
PubChem CID2148855
Molecular FormulaC18H17Cl2N3O3S2
Molecular Weight458.39 g/mol
Exact Mass457.01
IUPAC NameN-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2N3O3S2/c1-12(24)22-15-4-6-16(7-5-15)28(25,26)23-9-8-21-18(23)27-11-13-2-3-14(19)10-17(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,24)
InChIKeyIRKWEOAGDBUIOW-UHFFFAOYSA-N
XLogP4.25
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide with MolForge

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Related Compounds

2-chloro-1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 4176375
(2,5-dichlorophenyl)-[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4641018
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-fluorophenyl)methanone
CID 4197618
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-methoxyphenyl)methanone
CID 4156093
2-ethylsulfanyl-1-(4-fluorophenyl)sulfonyl-4,5-dihydroimidazole
CID 2148553
[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 3568673
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]propanamide
CID 27646908
2-[(2-chlorophenyl)methylsulfanyl]-1-propylsulfonyl-4,5-dihydroimidazole
CID 2148699
N-[4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 26202323
N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43924255
N-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]acetamide
CID 7028954
N-[4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108783259

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide (CID 2148855) is N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide?
The InChIKey is IRKWEOAGDBUIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3S2/c1-12(24)22-15-4-6-16(7-5-15)28(25,26)23-9-8-21-18(23)27-11-13-2-3-14(19)10-17(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,24).
What are the key properties of N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide?
N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide has a molecular weight of 458.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 2148855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).