1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea

C15H23Cl2N3O3S — CID 113068413

IUPAC1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN(CCc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H23Cl2N3O3S/c1-11(2)19-15(21)18-7-9-20(24(3,22)23)8-6-12-4-5-13(16)10-14(12)17/h4-5,10-11H,6-9H2,1-3H3,(H2,18,19,21)
InChIKeyWNBWOFROQZWUNU-UHFFFAOYSA-N
MW396.34 g/mol
LogP2.51
Rot. Bonds8

About 1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea

1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea (PubChem CID 113068413) has the molecular formula C15H23Cl2N3O3S and a molecular weight of 396.34 g/mol. Its IUPAC name is 1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea
PubChem CID113068413
Molecular FormulaC15H23Cl2N3O3S
Molecular Weight396.34 g/mol
Exact Mass395.08
IUPAC Name1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCN(CCc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H23Cl2N3O3S/c1-11(2)19-15(21)18-7-9-20(24(3,22)23)8-6-12-4-5-13(16)10-14(12)17/h4-5,10-11H,6-9H2,1-3H3,(H2,18,19,21)
InChIKeyWNBWOFROQZWUNU-UHFFFAOYSA-N
XLogP2.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 52.51
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
3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide
CID 113141414
3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-prop-2-enylpropanamide
CID 113141417
1-[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113070206
2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61183611
N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide
CID 113057117
1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
CID 111566614
1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea
CID 113065279
N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060111
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
CID 95281623
3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113067577
3-[[N-[3-(2,4-dichlorophenyl)propyl]-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111720307

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea (CID 113068413) is 1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCN(CCc1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of 1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea?
The InChIKey is WNBWOFROQZWUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3O3S/c1-11(2)19-15(21)18-7-9-20(24(3,22)23)8-6-12-4-5-13(16)10-14(12)17/h4-5,10-11H,6-9H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea?
1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea has a molecular weight of 396.34 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 113068413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).