[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea

C23H32N4O3S — CID 71147587

IUPAC[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
SMILESCC(CC1CCCCC1)NCc1ccccc1NS(=O)(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C23H32N4O3S/c1-17(15-18-7-3-2-4-8-18)25-16-19-9-5-6-10-22(19)27-31(29,30)21-13-11-20(12-14-21)26-23(24)28/h5-6,9-14,17-18,25,27H,2-4,7-8,15-16H2,1H3,(H3,24,26,28)
InChIKeyYPEGSKYJYOWQSY-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.43
Rot. Bonds9

About [4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea

[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea (PubChem CID 71147587) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is [4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
PubChem CID71147587
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC Name[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
SMILESCC(CC1CCCCC1)NCc1ccccc1NS(=O)(=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C23H32N4O3S/c1-17(15-18-7-3-2-4-8-18)25-16-19-9-5-6-10-22(19)27-31(29,30)21-13-11-20(12-14-21)26-23(24)28/h5-6,9-14,17-18,25,27H,2-4,7-8,15-16H2,1H3,(H3,24,26,28)
InChIKeyYPEGSKYJYOWQSY-UHFFFAOYSA-N
XLogP4.43
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea with MolForge

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Related Compounds

N-[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]nonanamide
CID 68951708
4-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]benzenesulfonamide
CID 68952611
1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 68950856
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 68951530
5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide
CID 68948115
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide
CID 68951837
1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene
CID 68948994
methyl N-[6-[[4-[[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]sulfamoyl]phenyl]sulfamoyl]-1H-benzimidazol-2-yl]carbamate
CID 123929310
1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea
CID 68950031
2-(4-chlorophenyl)sulfonyl-1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]guanidine
CID 87633952
5-(benzenesulfonyl)-N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide
CID 68947386
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-1,3-benzothiazole-6-sulfonamide
CID 68950626

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea?
The IUPAC name of [4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea (CID 71147587) is [4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea.
What is the SMILES notation for [4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea?
The canonical SMILES for [4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea is CC(CC1CCCCC1)NCc1ccccc1NS(=O)(=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea?
The InChIKey is YPEGSKYJYOWQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-17(15-18-7-3-2-4-8-18)25-16-19-9-5-6-10-22(19)27-31(29,30)21-13-11-20(12-14-21)26-23(24)28/h5-6,9-14,17-18,25,27H,2-4,7-8,15-16H2,1H3,(H3,24,26,28).
What are the key properties of [4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea?
[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea has a molecular weight of 444.60 g/mol, XLogP of 4.43, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea is sourced from PubChem (CID 71147587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).