(1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine

C26H28N4O3S — CID 59641848

IUPAC(1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C26H28N4O3S/c1-19(20-9-5-3-6-10-20)30-34(31,32)27-18-17-24-25(21-13-15-23(33-2)16-14-21)29-26(28-24)22-11-7-4-8-12-22/h3-16,19,27,30H,17-18H2,1-2H3,(H,28,29)/t19-/m1/s1
InChIKeyHWIPEEDVJKYYFD-LJQANCHMSA-N
MW476.60 g/mol
LogP4.48
Rot. Bonds10

About (1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine

(1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine (PubChem CID 59641848) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is (1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine
PubChem CID59641848
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name(1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C26H28N4O3S/c1-19(20-9-5-3-6-10-20)30-34(31,32)27-18-17-24-25(21-13-15-23(33-2)16-14-21)29-26(28-24)22-11-7-4-8-12-22/h3-16,19,27,30H,17-18H2,1-2H3,(H,28,29)/t19-/m1/s1
InChIKeyHWIPEEDVJKYYFD-LJQANCHMSA-N
XLogP4.48
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 24825363
4-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methylpiperazine-1-sulfonamide
CID 59641919
N-[3-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]propyl]-4-propylbenzenesulfonamide
CID 59641976
N-[2-[2,4-bis(4-methoxyphenyl)-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
CID 24825348
N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-3-methyl-4-(3-methylphenyl)piperazine-1-sulfonamide
CID 59641830
N-[2-[4-(4-fluorophenyl)-2-phenyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
CID 24825346
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
4-pentyl-N-[2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]benzenesulfonamide
CID 24825345
2-(4-fluorophenyl)-5-(methoxymethyl)-4-phenyl-1H-imidazole
CID 59384984
2-(4-methoxyphenyl)-5-methyl-4-[4-[[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methyl]phenyl]-1H-imidazole
CID 142406883

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine (CID 59641848) is (1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine is COc1ccc(-c2nc(-c3ccccc3)[nH]c2CCNS(=O)(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of (1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine?
The InChIKey is HWIPEEDVJKYYFD-LJQANCHMSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-19(20-9-5-3-6-10-20)30-34(31,32)27-18-17-24-25(21-13-15-23(33-2)16-14-21)29-26(28-24)22-11-7-4-8-12-22/h3-16,19,27,30H,17-18H2,1-2H3,(H,28,29)/t19-/m1/s1.
What are the key properties of (1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine?
(1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine has a molecular weight of 476.60 g/mol, XLogP of 4.48, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-[4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl]ethylsulfamoyl]-1-phenylethanamine is sourced from PubChem (CID 59641848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).