N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide

C24H31N3O3S — CID 24825353

IUPACN-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(C)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H31N3O3S/c1-4-5-6-7-19-8-14-22(15-9-19)31(28,29)25-17-16-23-24(27-18(2)26-23)20-10-12-21(30-3)13-11-20/h8-15,25H,4-7,16-17H2,1-3H3,(H,26,27)
InChIKeyOOAADWMCLODKTI-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.65
Rot. Bonds11

About N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide

N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (PubChem CID 24825353) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
PubChem CID24825353
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(C)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H31N3O3S/c1-4-5-6-7-19-8-14-22(15-9-19)31(28,29)25-17-16-23-24(27-18(2)26-23)20-10-12-21(30-3)13-11-20/h8-15,25H,4-7,16-17H2,1-3H3,(H,26,27)
InChIKeyOOAADWMCLODKTI-UHFFFAOYSA-N
XLogP4.65
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Fenflumizole
CID 68917
4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 1122713
N-{2-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 11466350
2,4,5-Tri-substituted imidazole, 2
CID 24825343
N-{2-[5-(3-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825347
N-{2-[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825350
N-{2-[5-(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825351
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825356
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-3-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825358
N-{2-[5-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825360
N-{3-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]propyl}-4-pentylbenzene-1-sulfonamide
CID 24825361
N-{3-[5-(4-methoxyphenyl)-2-(thiophen-2-yl)-1H-imidazol-4-yl]propyl}-4-pentylbenzene-1-sulfonamide
CID 24825362

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (CID 24825353) is N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(C)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is OOAADWMCLODKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-4-5-6-7-19-8-14-22(15-9-19)31(28,29)25-17-16-23-24(27-18(2)26-23)20-10-12-21(30-3)13-11-20/h8-15,25H,4-7,16-17H2,1-3H3,(H,26,27).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 441.60 g/mol, XLogP of 4.65, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).