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

C30H35N5O4S — CID 59641919

IUPAC4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccc(OC)cc3)C(C)C2)cc1
InChIInChI=1S/C30H35N5O4S/c1-22-21-34(19-20-35(22)25-11-15-27(39-3)16-12-25)40(36,37)31-18-17-28-29(23-9-13-26(38-2)14-10-23)33-30(32-28)24-7-5-4-6-8-24/h4-16,22,31H,17-21H2,1-3H3,(H,32,33)
InChIKeyKNCCTIVPBLRGSK-UHFFFAOYSA-N
MW561.71 g/mol
LogP4.35
Rot. Bonds10

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

4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide (PubChem CID 59641919) has the molecular formula C30H35N5O4S and a molecular weight of 561.71 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide
PubChem CID59641919
Molecular FormulaC30H35N5O4S
Molecular Weight561.71 g/mol
Exact Mass561.24
IUPAC Name4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccc(OC)cc3)C(C)C2)cc1
InChIInChI=1S/C30H35N5O4S/c1-22-21-34(19-20-35(22)25-11-15-27(39-3)16-12-25)40(36,37)31-18-17-28-29(23-9-13-26(38-2)14-10-23)33-30(32-28)24-7-5-4-6-8-24/h4-16,22,31H,17-21H2,1-3H3,(H,32,33)
InChIKeyKNCCTIVPBLRGSK-UHFFFAOYSA-N
XLogP4.35
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.71
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide (CID 59641919) is 4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide is COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N2CCN(c3ccc(OC)cc3)C(C)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide?
The InChIKey is KNCCTIVPBLRGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O4S/c1-22-21-34(19-20-35(22)25-11-15-27(39-3)16-12-25)40(36,37)31-18-17-28-29(23-9-13-26(38-2)14-10-23)33-30(32-28)24-7-5-4-6-8-24/h4-16,22,31H,17-21H2,1-3H3,(H,32,33).
What are the key properties of 4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide?
4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide has a molecular weight of 561.71 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 59641919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).