1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea

C15H22ClN3O3S — CID 113067880

IUPAC1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea
SMILESCS(=O)(=O)N(CCNC(=O)NC1CC1)CCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O3S/c1-23(21,22)19(10-8-12-2-4-13(16)5-3-12)11-9-17-15(20)18-14-6-7-14/h2-5,14H,6-11H2,1H3,(H2,17,18,20)
InChIKeyXFDQCMJQRLWMLT-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.61
Rot. Bonds8

About 1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea

1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea (PubChem CID 113067880) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea
PubChem CID113067880
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea
SMILESCS(=O)(=O)N(CCNC(=O)NC1CC1)CCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O3S/c1-23(21,22)19(10-8-12-2-4-13(16)5-3-12)11-9-17-15(20)18-14-6-7-14/h2-5,14H,6-11H2,1H3,(H2,17,18,20)
InChIKeyXFDQCMJQRLWMLT-UHFFFAOYSA-N
XLogP1.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea
CID 113068414
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide
CID 113152544
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 113152553
N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 113152507
1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea
CID 113068483
N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151847
1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea
CID 113068249
2-(4-chlorophenyl)-N-[2-[methylsulfonyl(pentyl)amino]ethyl]acetamide
CID 113068320
1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea
CID 113067081
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068580
2-(4-chlorophenyl)-N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 113065117
1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113071624

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea?
The IUPAC name of 1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea (CID 113067880) is 1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea?
The canonical SMILES for 1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea is CS(=O)(=O)N(CCNC(=O)NC1CC1)CCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea?
The InChIKey is XFDQCMJQRLWMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-23(21,22)19(10-8-12-2-4-13(16)5-3-12)11-9-17-15(20)18-14-6-7-14/h2-5,14H,6-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea?
1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea has a molecular weight of 359.88 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea is sourced from PubChem (CID 113067880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).