1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea

C35H28N4O6S2 — CID 23176149

IUPAC1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)NS(=O)(=O)c3cccc4ccccc34)cc2)cc1)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C35H28N4O6S2/c40-34(38-46(42,43)32-13-5-9-26-7-1-3-11-30(26)32)36-28-19-15-24(16-20-28)23-25-17-21-29(22-18-25)37-35(41)39-47(44,45)33-14-6-10-27-8-2-4-12-31(27)33/h1-22H,23H2,(H2,36,38,40)(H2,37,39,41)
InChIKeyWLQCCGUUKQIIRU-UHFFFAOYSA-N
MW664.77 g/mol
LogP6.60
Rot. Bonds8

About 1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea

1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea (PubChem CID 23176149) has the molecular formula C35H28N4O6S2 and a molecular weight of 664.77 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea
PubChem CID23176149
Molecular FormulaC35H28N4O6S2
Molecular Weight664.77 g/mol
Exact Mass664.15
IUPAC Name1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)NS(=O)(=O)c3cccc4ccccc34)cc2)cc1)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C35H28N4O6S2/c40-34(38-46(42,43)32-13-5-9-26-7-1-3-11-30(26)32)36-28-19-15-24(16-20-28)23-25-17-21-29(22-18-25)37-35(41)39-47(44,45)33-14-6-10-27-8-2-4-12-31(27)33/h1-22H,23H2,(H2,36,38,40)(H2,37,39,41)
InChIKeyWLQCCGUUKQIIRU-UHFFFAOYSA-N
XLogP6.60
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 56.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea with MolForge

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Related Compounds

1-[2-methyl-5-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]-3-naphthalen-1-ylsulfonylurea
CID 19607163
1-(4-methoxynaphthalen-2-yl)sulfonyl-3-[4-[[4-[(4-methoxynaphthalen-2-yl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 19607144
1-(3-nitrophenyl)sulfonyl-3-[4-[[4-[(3-nitrophenyl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 19966682
1-butyl-3-naphthalen-1-ylsulfonylurea
CID 125482961
1-(4-benzylphenyl)-3-methylurea
CID 145326557
1-propan-2-ylsulfonyl-3-[4-[[4-(propan-2-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea
CID 19966672
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
CID 10501408
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
N-phenylnaphthalene-1-sulfonamide
CID 3816137
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728
N-naphthalen-1-ylsulfonylpent-4-enamide
CID 99857404
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea?
The IUPAC name of 1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea (CID 23176149) is 1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea.
What is the SMILES notation for 1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea?
The canonical SMILES for 1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea is O=C(Nc1ccc(Cc2ccc(NC(=O)NS(=O)(=O)c3cccc4ccccc34)cc2)cc1)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea?
The InChIKey is WLQCCGUUKQIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N4O6S2/c40-34(38-46(42,43)32-13-5-9-26-7-1-3-11-30(26)32)36-28-19-15-24(16-20-28)23-25-17-21-29(22-18-25)37-35(41)39-47(44,45)33-14-6-10-27-8-2-4-12-31(27)33/h1-22H,23H2,(H2,36,38,40)(H2,37,39,41).
What are the key properties of 1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea?
1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea has a molecular weight of 664.77 g/mol, XLogP of 6.60, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfonyl-3-[4-[[4-(naphthalen-1-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea is sourced from PubChem (CID 23176149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).