1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea

C48H38N8O9S2 — CID 139806277

IUPAC1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea
SMILESO=C(Nc1cccc(S(=O)(=O)NC(=O)Nc2ccc(Oc3ccc(NC(=O)NS(=O)(=O)c4cccc(NC(=O)Nc5cccc6ccccc56)c4)cc3)cc2)c1)Nc1cccc2ccccc12
InChIInChI=1S/C48H38N8O9S2/c57-45(53-43-19-5-11-31-9-1-3-17-41(31)43)51-35-13-7-15-39(29-35)66(61,62)55-47(59)49-33-21-25-37(26-22-33)65-38-27-23-34(24-28-38)50-48(60)56-67(63,64)40-16-8-14-36(30-40)52-46(58)54-44-20-6-12-32-10-2-4-18-42(32)44/h1-30H,(H2,49,55,59)(H2,50,56,60)(H2,51,53,57)(H2,52,54,58)
InChIKeyBNBBMLHQOBUOTO-UHFFFAOYSA-N
MW935.01 g/mol
LogP10.09
Rot. Bonds12

About 1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea

1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea (PubChem CID 139806277) has the molecular formula C48H38N8O9S2 and a molecular weight of 935.01 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea
PubChem CID139806277
Molecular FormulaC48H38N8O9S2
Molecular Weight935.01 g/mol
Exact Mass934.22
IUPAC Name1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea
SMILESO=C(Nc1cccc(S(=O)(=O)NC(=O)Nc2ccc(Oc3ccc(NC(=O)NS(=O)(=O)c4cccc(NC(=O)Nc5cccc6ccccc56)c4)cc3)cc2)c1)Nc1cccc2ccccc12
InChIInChI=1S/C48H38N8O9S2/c57-45(53-43-19-5-11-31-9-1-3-17-41(31)43)51-35-13-7-15-39(29-35)66(61,62)55-47(59)49-33-21-25-37(26-22-33)65-38-27-23-34(24-28-38)50-48(60)56-67(63,64)40-16-8-14-36(30-40)52-46(58)54-44-20-6-12-32-10-2-4-18-42(32)44/h1-30H,(H2,49,55,59)(H2,50,56,60)(H2,51,53,57)(H2,52,54,58)
InChIKeyBNBBMLHQOBUOTO-UHFFFAOYSA-N
XLogP10.09
TPSA242.03 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500935.01
LogP ≤ 510.09
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze 1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea with MolForge

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Related Compounds

1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide
CID 139878374
1-(7-hydroxynaphthalen-1-yl)-3-(4-phenoxyphenyl)urea
CID 10133734
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-(4-butoxyphenyl)-3-naphthalen-1-ylurea
CID 4146159
benzyl N-[3-(phenylcarbamoylsulfamoyl)phenyl]carbamate
CID 139878379
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-benzhydryl-3-[3-(phenylcarbamoylamino)phenyl]sulfonylurea
CID 154259297
1-[2-methyl-5-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]-3-naphthalen-1-ylsulfonylurea
CID 19607163
1-naphthalen-1-yl-3-(naphthalen-1-ylsulfamoyl)urea
CID 134347050
1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea
CID 69011660
1-(2-fluorophenyl)-3-[3-[(2-fluorophenyl)sulfamoyl]phenyl]urea
CID 4803235

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea?
The IUPAC name of 1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea (CID 139806277) is 1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea?
The canonical SMILES for 1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea is O=C(Nc1cccc(S(=O)(=O)NC(=O)Nc2ccc(Oc3ccc(NC(=O)NS(=O)(=O)c4cccc(NC(=O)Nc5cccc6ccccc56)c4)cc3)cc2)c1)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea?
The InChIKey is BNBBMLHQOBUOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N8O9S2/c57-45(53-43-19-5-11-31-9-1-3-17-41(31)43)51-35-13-7-15-39(29-35)66(61,62)55-47(59)49-33-21-25-37(26-22-33)65-38-27-23-34(24-28-38)50-48(60)56-67(63,64)40-16-8-14-36(30-40)52-46(58)54-44-20-6-12-32-10-2-4-18-42(32)44/h1-30H,(H2,49,55,59)(H2,50,56,60)(H2,51,53,57)(H2,52,54,58).
What are the key properties of 1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea?
1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea has a molecular weight of 935.01 g/mol, XLogP of 10.09, 12 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea is sourced from PubChem (CID 139806277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).