N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide

C25H38N4O3S — CID 59387953

IUPACN-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(CC2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2)N=C1N
InChIInChI=1S/C25H38N4O3S/c1-29-23(30)25(27-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-12-21(17-20)28-33(31,32)22-13-6-3-7-14-22/h3,6-7,13-14,19-21,28H,2,4-5,8-12,15-18H2,1H3,(H2,26,27)/t20?,21-,25-/m1/s1
InChIKeyOWTIHVXJZNVHOL-NOCHFJEPSA-N
MW474.67 g/mol
LogP3.80
Rot. Bonds8

About N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide

N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide (PubChem CID 59387953) has the molecular formula C25H38N4O3S and a molecular weight of 474.67 g/mol. Its IUPAC name is N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide
PubChem CID59387953
Molecular FormulaC25H38N4O3S
Molecular Weight474.67 g/mol
Exact Mass474.27
IUPAC NameN-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(CC2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2)N=C1N
InChIInChI=1S/C25H38N4O3S/c1-29-23(30)25(27-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-12-21(17-20)28-33(31,32)22-13-6-3-7-14-22/h3,6-7,13-14,19-21,28H,2,4-5,8-12,15-18H2,1H3,(H2,26,27)/t20?,21-,25-/m1/s1
InChIKeyOWTIHVXJZNVHOL-NOCHFJEPSA-N
XLogP3.80
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.67
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide (CID 59387953) is N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide is CN1C(=O)[C@@](CCC2CCCCC2)(CC2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2)N=C1N.
What is the InChIKey of N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide?
The InChIKey is OWTIHVXJZNVHOL-NOCHFJEPSA-N. The full InChI is InChI=1S/C25H38N4O3S/c1-29-23(30)25(27-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-12-21(17-20)28-33(31,32)22-13-6-3-7-14-22/h3,6-7,13-14,19-21,28H,2,4-5,8-12,15-18H2,1H3,(H2,26,27)/t20?,21-,25-/m1/s1.
What are the key properties of N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide?
N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide has a molecular weight of 474.67 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 59387953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).