N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide

C30H35N5O3S — CID 59641830

IUPACN-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N2CCN(c3cccc(C)c3)C(C)C2)cc1
InChIInChI=1S/C30H35N5O3S/c1-22-8-7-11-26(20-22)35-19-18-34(21-23(35)2)39(36,37)31-17-16-28-29(24-12-14-27(38-3)15-13-24)33-30(32-28)25-9-5-4-6-10-25/h4-15,20,23,31H,16-19,21H2,1-3H3,(H,32,33)
InChIKeyWQHIWCCSWODYSF-UHFFFAOYSA-N
MW545.71 g/mol
LogP4.65
Rot. Bonds9

About N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide

N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide (PubChem CID 59641830) has the molecular formula C30H35N5O3S and a molecular weight of 545.71 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide
PubChem CID59641830
Molecular FormulaC30H35N5O3S
Molecular Weight545.71 g/mol
Exact Mass545.25
IUPAC NameN-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N2CCN(c3cccc(C)c3)C(C)C2)cc1
InChIInChI=1S/C30H35N5O3S/c1-22-8-7-11-26(20-22)35-19-18-34(21-23(35)2)39(36,37)31-17-16-28-29(24-12-14-27(38-3)15-13-24)33-30(32-28)25-9-5-4-6-10-25/h4-15,20,23,31H,16-19,21H2,1-3H3,(H,32,33)
InChIKeyWQHIWCCSWODYSF-UHFFFAOYSA-N
XLogP4.65
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.71
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide (CID 59641830) is N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide is COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N2CCN(c3cccc(C)c3)C(C)C2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide?
The InChIKey is WQHIWCCSWODYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O3S/c1-22-8-7-11-26(20-22)35-19-18-34(21-23(35)2)39(36,37)31-17-16-28-29(24-12-14-27(38-3)15-13-24)33-30(32-28)25-9-5-4-6-10-25/h4-15,20,23,31H,16-19,21H2,1-3H3,(H,32,33).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide?
N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide has a molecular weight of 545.71 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide is sourced from PubChem (CID 59641830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).