1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea

C15H22N2O4S — CID 47032630

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1ccc(NC(=O)NCCCOCC2CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)14-7-5-13(6-8-14)17-15(18)16-9-2-10-21-11-12-3-4-12/h5-8,12H,2-4,9-11H2,1H3,(H2,16,17,18)
InChIKeyNEYWRICOBYTHLL-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.03
Rot. Bonds8

About 1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea

1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea (PubChem CID 47032630) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea
PubChem CID47032630
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1ccc(NC(=O)NCCCOCC2CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)14-7-5-13(6-8-14)17-15(18)16-9-2-10-21-11-12-3-4-12/h5-8,12H,2-4,9-11H2,1H3,(H2,16,17,18)
InChIKeyNEYWRICOBYTHLL-UHFFFAOYSA-N
XLogP2.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-3-(4-methylsulfonylphenyl)urea
CID 47197998
1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea
CID 17466807
1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044694
1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 47133545
N-[3-(cyclopropylmethoxy)propyl]-4-(dimethylsulfamoyl)benzamide
CID 18120892
1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea
CID 119047504
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(4-methylsulfonylphenyl)urea
CID 86987517
N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide
CID 31737121
1-(3-methoxypropyl)-3-(3-methylsulfonylphenyl)urea
CID 47201415
1-(2,2-dimethylpropyl)-3-(4-methylsulfonylphenyl)urea
CID 110774671
1-ethyl-2-[(4-methylsulfonylphenyl)methyl]-3-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642078
1-[4-[[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111393210

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea (CID 47032630) is 1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea is CS(=O)(=O)c1ccc(NC(=O)NCCCOCC2CC2)cc1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea?
The InChIKey is NEYWRICOBYTHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-22(19,20)14-7-5-13(6-8-14)17-15(18)16-9-2-10-21-11-12-3-4-12/h5-8,12H,2-4,9-11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea?
1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea has a molecular weight of 326.42 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea is sourced from PubChem (CID 47032630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).