1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea

C24H33N3O3S — CID 68950030

IUPAC1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea
SMILESCc1ccc(S(N)(=O)=O)c(-c2ccccc2CNC(=O)NC(C)CC2CCCCC2)c1
InChIInChI=1S/C24H33N3O3S/c1-17-12-13-23(31(25,29)30)22(14-17)21-11-7-6-10-20(21)16-26-24(28)27-18(2)15-19-8-4-3-5-9-19/h6-7,10-14,18-19H,3-5,8-9,15-16H2,1-2H3,(H2,25,29,30)(H2,26,27,28)
InChIKeyYJQHCYXRQMRBMD-UHFFFAOYSA-N
MW443.61 g/mol
LogP4.47
Rot. Bonds7

About 1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea

1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea (PubChem CID 68950030) 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-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea
PubChem CID68950030
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC Name1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea
SMILESCc1ccc(S(N)(=O)=O)c(-c2ccccc2CNC(=O)NC(C)CC2CCCCC2)c1
InChIInChI=1S/C24H33N3O3S/c1-17-12-13-23(31(25,29)30)22(14-17)21-11-7-6-10-20(21)16-26-24(28)27-18(2)15-19-8-4-3-5-9-19/h6-7,10-14,18-19H,3-5,8-9,15-16H2,1-2H3,(H2,25,29,30)(H2,26,27,28)
InChIKeyYJQHCYXRQMRBMD-UHFFFAOYSA-N
XLogP4.47
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-(1-cyclohexylpropan-2-yl)-3-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]urea
CID 68950031
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-1-propan-2-ylurea
CID 154205114
2-[2-[(1-cyclopropylethylcarbamoylamino)methyl]phenyl]acetic acid
CID 81318367
methyl (2R)-2-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonylamino]propanoate
CID 151105326
[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-(2-methylphenyl)sulfonylcarbamic acid;hydrochloride
CID 68948164
(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide
CID 95305329
trans-(1R,2R)-2-N-[(4-methylphenyl)methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 10413839
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774794
(3S)-3-amino-1-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonyl]-5-methylhexan-2-one;dihydrochloride
CID 159904114
1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110901359
N-(1-cyclohexylethyl)-2-(2-hydroxyphenyl)acetamide
CID 79039260
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea?
The IUPAC name of 1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea (CID 68950030) is 1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea?
The canonical SMILES for 1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea is Cc1ccc(S(N)(=O)=O)c(-c2ccccc2CNC(=O)NC(C)CC2CCCCC2)c1.
What is the InChIKey of 1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea?
The InChIKey is YJQHCYXRQMRBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-17-12-13-23(31(25,29)30)22(14-17)21-11-7-6-10-20(21)16-26-24(28)27-18(2)15-19-8-4-3-5-9-19/h6-7,10-14,18-19H,3-5,8-9,15-16H2,1-2H3,(H2,25,29,30)(H2,26,27,28).
What are the key properties of 1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea?
1-(1-cyclohexylpropan-2-yl)-3-[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea has a molecular weight of 443.61 g/mol, XLogP of 4.47, 7 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-(5-methyl-2-sulfamoylphenyl)phenyl]methyl]urea is sourced from PubChem (CID 68950030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).