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

C28H32N4O3S — CID 24825357

IUPACN-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccn3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H32N4O3S/c1-3-4-5-8-21-10-16-24(17-11-21)36(33,34)30-20-18-25-27(22-12-14-23(35-2)15-13-22)32-28(31-25)26-9-6-7-19-29-26/h6-7,9-17,19,30H,3-5,8,18,20H2,1-2H3,(H,31,32)
InChIKeyZQXWPKZXNHMHOV-UHFFFAOYSA-N
MW504.66 g/mol
LogP5.40
Rot. Bonds12

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

N-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (PubChem CID 24825357) has the molecular formula C28H32N4O3S and a molecular weight of 504.66 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
PubChem CID24825357
Molecular FormulaC28H32N4O3S
Molecular Weight504.66 g/mol
Exact Mass504.22
IUPAC NameN-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccn3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H32N4O3S/c1-3-4-5-8-21-10-16-24(17-11-21)36(33,34)30-20-18-25-27(22-12-14-23(35-2)15-13-22)32-28(31-25)26-9-6-7-19-29-26/h6-7,9-17,19,30H,3-5,8,18,20H2,1-2H3,(H,31,32)
InChIKeyZQXWPKZXNHMHOV-UHFFFAOYSA-N
XLogP5.40
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.66
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (CID 24825357) is N-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccn3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is ZQXWPKZXNHMHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3S/c1-3-4-5-8-21-10-16-24(17-11-21)36(33,34)30-20-18-25-27(22-12-14-23(35-2)15-13-22)32-28(31-25)26-9-6-7-19-29-26/h6-7,9-17,19,30H,3-5,8,18,20H2,1-2H3,(H,31,32).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
N-[2-[4-(4-methoxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 504.66 g/mol, XLogP of 5.40, 12 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-pyridin-2-yl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).