1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea

C24H29N3O3S — CID 46486352

IUPAC1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H29N3O3S/c1-4-27(5-2)31(29,30)23-14-10-19(11-15-23)17-25-24(28)26-18(3)21-13-12-20-8-6-7-9-22(20)16-21/h6-16,18H,4-5,17H2,1-3H3,(H2,25,26,28)
InChIKeyKSKAOZREEMTEAK-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.43
Rot. Bonds8

About 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea

1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea (PubChem CID 46486352) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea
PubChem CID46486352
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC(C)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H29N3O3S/c1-4-27(5-2)31(29,30)23-14-10-19(11-15-23)17-25-24(28)26-18(3)21-13-12-20-8-6-7-9-22(20)16-21/h6-16,18H,4-5,17H2,1-3H3,(H2,25,26,28)
InChIKeyKSKAOZREEMTEAK-UHFFFAOYSA-N
XLogP4.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 167918686
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea;hydrochloride
CID 167918685
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
1-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CID 16608992
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 52525151
1-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 26249383
1-[(4-bromothiophen-2-yl)methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 55769812
1-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 52535105
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 55741523
1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 55473706
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8802080
2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26011498

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea?
The IUPAC name of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea (CID 46486352) is 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea.
What is the SMILES notation for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea?
The canonical SMILES for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC(C)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea?
The InChIKey is KSKAOZREEMTEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-4-27(5-2)31(29,30)23-14-10-19(11-15-23)17-25-24(28)26-18(3)21-13-12-20-8-6-7-9-22(20)16-21/h6-16,18H,4-5,17H2,1-3H3,(H2,25,26,28).
What are the key properties of 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea?
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea has a molecular weight of 439.58 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea is sourced from PubChem (CID 46486352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).