1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea

C24H33N3O3S — CID 68950031

IUPAC1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CNC(=O)NC(C)CC2CCCCC2)cc1
InChIInChI=1S/C24H33N3O3S/c1-18-12-14-22(15-13-18)31(29,30)27-23-11-7-6-10-21(23)17-25-24(28)26-19(2)16-20-8-4-3-5-9-20/h6-7,10-15,19-20,27H,3-5,8-9,16-17H2,1-2H3,(H2,25,26,28)
InChIKeyPGFUGYZUKLMGQI-UHFFFAOYSA-N
MW443.61 g/mol
LogP4.95
Rot. Bonds8

About 1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea

1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea (PubChem CID 68950031) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is 1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea
PubChem CID68950031
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CNC(=O)NC(C)CC2CCCCC2)cc1
InChIInChI=1S/C24H33N3O3S/c1-18-12-14-22(15-13-18)31(29,30)27-23-11-7-6-10-21(23)17-25-24(28)26-19(2)16-20-8-4-3-5-9-20/h6-7,10-15,19-20,27H,3-5,8-9,16-17H2,1-2H3,(H2,25,26,28)
InChIKeyPGFUGYZUKLMGQI-UHFFFAOYSA-N
XLogP4.95
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
CID 71147587
1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea
CID 68950030
N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide
CID 57096689
4-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]benzenesulfonamide
CID 68952611
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 68951530
1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 68950856
N-[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]nonanamide
CID 68951708
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 68948948
N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide
CID 2175745
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
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-6-methyl-1H-benzimidazole-2-sulfonamide
CID 68952790

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea?
The IUPAC name of 1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea (CID 68950031) is 1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea.
What is the SMILES notation for 1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea?
The canonical SMILES for 1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea is Cc1ccc(S(=O)(=O)Nc2ccccc2CNC(=O)NC(C)CC2CCCCC2)cc1.
What is the InChIKey of 1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea?
The InChIKey is PGFUGYZUKLMGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-18-12-14-22(15-13-18)31(29,30)27-23-11-7-6-10-21(23)17-25-24(28)26-19(2)16-20-8-4-3-5-9-20/h6-7,10-15,19-20,27H,3-5,8-9,16-17H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea?
1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea has a molecular weight of 443.61 g/mol, XLogP of 4.95, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea is sourced from PubChem (CID 68950031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).