N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide

C30H33N3O3S — CID 59641920

IUPACN-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2c2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H33N3O3S/c1-3-4-6-9-21-12-18-25(19-13-21)37(34,35)33-27-20-26(27)29-28(22-14-16-24(36-2)17-15-22)31-30(32-29)23-10-7-5-8-11-23/h5,7-8,10-19,26-27,33H,3-4,6,9,20H2,1-2H3,(H,31,32)/t26-,27-/m0/s1
InChIKeyOEUONDFDNLDCID-SVBPBHIXSA-N
MW515.68 g/mol
LogP6.32
Rot. Bonds11

About N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide

N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide (PubChem CID 59641920) has the molecular formula C30H33N3O3S and a molecular weight of 515.68 g/mol. Its IUPAC name is N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide
PubChem CID59641920
Molecular FormulaC30H33N3O3S
Molecular Weight515.68 g/mol
Exact Mass515.22
IUPAC NameN-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2c2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H33N3O3S/c1-3-4-6-9-21-12-18-25(19-13-21)37(34,35)33-27-20-26(27)29-28(22-14-16-24(36-2)17-15-22)31-30(32-29)23-10-7-5-8-11-23/h5,7-8,10-19,26-27,33H,3-4,6,9,20H2,1-2H3,(H,31,32)/t26-,27-/m0/s1
InChIKeyOEUONDFDNLDCID-SVBPBHIXSA-N
XLogP6.32
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 56.32
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

N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
CID 24825348
N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide
CID 59641976
N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
CID 24825346
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-(1,1-dimethylazetidin-1-ium-3-yl)-4-pentylbenzenesulfonamide
CID 68847871
2-(4-methoxyphenyl)-5-methyl-4-[4-[[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methyl]phenyl]-1H-imidazole
CID 142406883
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530
1-methoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 613607
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide (CID 59641920) is N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2c2[nH]c(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide?
The InChIKey is OEUONDFDNLDCID-SVBPBHIXSA-N. The full InChI is InChI=1S/C30H33N3O3S/c1-3-4-6-9-21-12-18-25(19-13-21)37(34,35)33-27-20-26(27)29-28(22-14-16-24(36-2)17-15-22)31-30(32-29)23-10-7-5-8-11-23/h5,7-8,10-19,26-27,33H,3-4,6,9,20H2,1-2H3,(H,31,32)/t26-,27-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide?
N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide has a molecular weight of 515.68 g/mol, XLogP of 6.32, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]cyclopropyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 59641920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).