1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea

C21H17N3O3S — CID 134347050

IUPAC1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea
SMILESO=C(Nc1cccc2ccccc12)NS(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H17N3O3S/c25-21(22-19-13-5-9-15-7-1-3-11-17(15)19)24-28(26,27)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14,23H,(H2,22,24,25)
InChIKeyVVJIPKRKCQXEKM-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.47
Rot. Bonds4

About 1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea

1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea (PubChem CID 134347050) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea
PubChem CID134347050
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea
SMILESO=C(Nc1cccc2ccccc12)NS(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H17N3O3S/c25-21(22-19-13-5-9-15-7-1-3-11-17(15)19)24-28(26,27)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14,23H,(H2,22,24,25)
InChIKeyVVJIPKRKCQXEKM-UHFFFAOYSA-N
XLogP4.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
2-(naphthalen-1-ylsulfamoyl)acetic acid
CID 28773986
1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea
CID 51686352
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-tritylurea
CID 4029941

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea (CID 134347050) is 1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea is O=C(Nc1cccc2ccccc12)NS(=O)(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea?
The InChIKey is VVJIPKRKCQXEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-21(22-19-13-5-9-15-7-1-3-11-17(15)19)24-28(26,27)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14,23H,(H2,22,24,25).
What are the key properties of 1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea?
1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea has a molecular weight of 391.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea is sourced from PubChem (CID 134347050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).