1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea

C19H31N2O6PS — CID 22564937

IUPAC1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea
SMILESCC(C)OP(=O)(OC(C)C)c1ccccc1NC(=O)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C19H31N2O6PS/c1-14(2)26-28(23,27-15(3)4)18-13-9-8-12-17(18)20-19(22)21-29(24,25)16-10-6-5-7-11-16/h8-9,12-16H,5-7,10-11H2,1-4H3,(H2,20,21,22)
InChIKeyDBVNAXRHKIPADA-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.14
Rot. Bonds8

About 1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea

1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea (PubChem CID 22564937) has the molecular formula C19H31N2O6PS and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea.

Molecular Properties

Compound Name1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea
PubChem CID22564937
Molecular FormulaC19H31N2O6PS
Molecular Weight446.51 g/mol
Exact Mass446.16
IUPAC Name1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea
SMILESCC(C)OP(=O)(OC(C)C)c1ccccc1NC(=O)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C19H31N2O6PS/c1-14(2)26-28(23,27-15(3)4)18-13-9-8-12-17(18)20-19(22)21-29(24,25)16-10-6-5-7-11-16/h8-9,12-16H,5-7,10-11H2,1-4H3,(H2,20,21,22)
InChIKeyDBVNAXRHKIPADA-UHFFFAOYSA-N
XLogP4.14
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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(2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide
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1-cyclopropylsulfonyl-3-propan-2-ylurea
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CID 102532603
(2R)-2-acetamido-2-cyclopentyl-N-(2-ethoxyphenyl)acetamide
CID 40938974
1-(4-chlorophenyl)sulfonyl-3-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]urea
CID 68950856
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
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CID 47126825

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea?
The IUPAC name of 1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea (CID 22564937) is 1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea.
What is the SMILES notation for 1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea?
The canonical SMILES for 1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea is CC(C)OP(=O)(OC(C)C)c1ccccc1NC(=O)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea?
The InChIKey is DBVNAXRHKIPADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N2O6PS/c1-14(2)26-28(23,27-15(3)4)18-13-9-8-12-17(18)20-19(22)21-29(24,25)16-10-6-5-7-11-16/h8-9,12-16H,5-7,10-11H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea?
1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea has a molecular weight of 446.51 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonyl-3-[2-di(propan-2-yloxy)phosphorylphenyl]urea is sourced from PubChem (CID 22564937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).