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

C30H35N3O4S — CID 24825348

IUPACN-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccc(OC)cc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H35N3O4S/c1-4-5-6-7-22-8-18-27(19-9-22)38(34,35)31-21-20-28-29(23-10-14-25(36-2)15-11-23)33-30(32-28)24-12-16-26(37-3)17-13-24/h8-19,31H,4-7,20-21H2,1-3H3,(H,32,33)
InChIKeyAAASTTXAYJCATC-UHFFFAOYSA-N
MW533.69 g/mol
LogP6.01
Rot. Bonds13

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

N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (PubChem CID 24825348) has the molecular formula C30H35N3O4S and a molecular weight of 533.69 g/mol. Its IUPAC name is N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
PubChem CID24825348
Molecular FormulaC30H35N3O4S
Molecular Weight533.69 g/mol
Exact Mass533.23
IUPAC NameN-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccc(OC)cc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H35N3O4S/c1-4-5-6-7-22-8-18-27(19-9-22)38(34,35)31-21-20-28-29(23-10-14-25(36-2)15-11-23)33-30(32-28)24-12-16-26(37-3)17-13-24/h8-19,31H,4-7,20-21H2,1-3H3,(H,32,33)
InChIKeyAAASTTXAYJCATC-UHFFFAOYSA-N
XLogP6.01
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.69
LogP ≤ 56.01
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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Related Compounds

N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
CID 24825346
N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide
CID 59641976
4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
CID 24825345
N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 24825363
N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide
CID 59641920
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
(1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine
CID 59641848
2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 33433831
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide
CID 84556936
4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
N-[3-(2,4-diphenyl-1H-imidazol-5-yl)propyl]-4-(1-hydroxypropyl)benzenesulfonamide
CID 59641831

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide (CID 24825348) is N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccc(OC)cc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is AAASTTXAYJCATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O4S/c1-4-5-6-7-22-8-18-27(19-9-22)38(34,35)31-21-20-28-29(23-10-14-25(36-2)15-11-23)33-30(32-28)24-12-16-26(37-3)17-13-24/h8-19,31H,4-7,20-21H2,1-3H3,(H,32,33).
What are the key properties of N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide?
N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 533.69 g/mol, XLogP of 6.01, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 24825348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).