1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea

C15H21Cl2N3O3S — CID 113068414

IUPAC1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea
SMILESCS(=O)(=O)N(CCNC(=O)NC1CC1)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O3S/c1-24(22,23)20(9-7-18-15(21)19-13-4-5-13)8-6-11-2-3-12(16)10-14(11)17/h2-3,10,13H,4-9H2,1H3,(H2,18,19,21)
InChIKeyPTTGPSKHWWHFMC-UHFFFAOYSA-N
MW394.32 g/mol
LogP2.26
Rot. Bonds8

About 1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea

1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea (PubChem CID 113068414) has the molecular formula C15H21Cl2N3O3S and a molecular weight of 394.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea
PubChem CID113068414
Molecular FormulaC15H21Cl2N3O3S
Molecular Weight394.32 g/mol
Exact Mass393.07
IUPAC Name1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea
SMILESCS(=O)(=O)N(CCNC(=O)NC1CC1)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O3S/c1-24(22,23)20(9-7-18-15(21)19-13-4-5-13)8-6-11-2-3-12(16)10-14(11)17/h2-3,10,13H,4-9H2,1H3,(H2,18,19,21)
InChIKeyPTTGPSKHWWHFMC-UHFFFAOYSA-N
XLogP2.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-cyclopropylurea
CID 113067880
1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea
CID 113068413
3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide
CID 113141414
2-(cyclopropylcarbamoylamino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 112995921
3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide
CID 113141417
4-N-cyclopropyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109144732
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2,5-dichlorophenyl)acetamide
CID 113063693
N-(5-chloro-2-methoxyphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060320
1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea
CID 113068483
N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
CID 78978000
1-cyclohexyl-3-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]urea
CID 113068249
1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea
CID 100744347

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea (CID 113068414) is 1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea is CS(=O)(=O)N(CCNC(=O)NC1CC1)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea?
The InChIKey is PTTGPSKHWWHFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O3S/c1-24(22,23)20(9-7-18-15(21)19-13-4-5-13)8-6-11-2-3-12(16)10-14(11)17/h2-3,10,13H,4-9H2,1H3,(H2,18,19,21).
What are the key properties of 1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea?
1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea has a molecular weight of 394.32 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]urea is sourced from PubChem (CID 113068414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).