1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea

C21H28ClN3O3S — CID 55473706

IUPAC1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)NC(C)c2ccccc2Cl)cc1
InChIInChI=1S/C21H28ClN3O3S/c1-5-25(6-2)29(27,28)18-13-11-17(12-14-18)15(3)23-21(26)24-16(4)19-9-7-8-10-20(19)22/h7-16H,5-6H2,1-4H3,(H2,23,24,26)
InChIKeyRKHANHGRJMPEDG-UHFFFAOYSA-N
MW437.99 g/mol
LogP4.49
Rot. Bonds8

About 1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea

1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea (PubChem CID 55473706) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
PubChem CID55473706
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)NC(C)c2ccccc2Cl)cc1
InChIInChI=1S/C21H28ClN3O3S/c1-5-25(6-2)29(27,28)18-13-11-17(12-14-18)15(3)23-21(26)24-16(4)19-9-7-8-10-20(19)22/h7-16H,5-6H2,1-4H3,(H2,23,24,26)
InChIKeyRKHANHGRJMPEDG-UHFFFAOYSA-N
XLogP4.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55395322
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
1-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 52535105
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 52525151
N-[1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 43872409
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 28547139
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 41482598
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea (CID 55473706) is 1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)NC(C)c2ccccc2Cl)cc1.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea?
The InChIKey is RKHANHGRJMPEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3S/c1-5-25(6-2)29(27,28)18-13-11-17(12-14-18)15(3)23-21(26)24-16(4)19-9-7-8-10-20(19)22/h7-16H,5-6H2,1-4H3,(H2,23,24,26).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea?
1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea has a molecular weight of 437.99 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea is sourced from PubChem (CID 55473706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).