4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide

C25H24N2O5S — CID 163834712

IUPAC4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESCOC1=CC=C(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)c3ccccc23)CC1
InChIInChI=1S/C25H24N2O5S/c1-31-19-11-7-17(8-12-19)25(28)26-23-15-16-24(22-6-4-3-5-21(22)23)33(29,30)27-18-9-13-20(32-2)14-10-18/h3-7,9-11,13-16,27H,8,12H2,1-2H3,(H,26,28)
InChIKeyOGSSPDCXQPGPET-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.84
Rot. Bonds7

About 4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide

4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 163834712) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is 4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide
PubChem CID163834712
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESCOC1=CC=C(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)c3ccccc23)CC1
InChIInChI=1S/C25H24N2O5S/c1-31-19-11-7-17(8-12-19)25(28)26-23-15-16-24(22-6-4-3-5-21(22)23)33(29,30)27-18-9-13-20(32-2)14-10-18/h3-7,9-11,13-16,27H,8,12H2,1-2H3,(H,26,28)
InChIKeyOGSSPDCXQPGPET-UHFFFAOYSA-N
XLogP4.84
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea
CID 59656517
N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide
CID 59656404
N-(4-methoxyphenyl)-3-oxo-2-thiatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene-9-sulfonamide
CID 1079390
N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 9413965
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796
1-benzyl-3-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047925
8-methoxy-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 729403
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
N-(4-chlorophenyl)-4-methoxynaphthalene-1-sulfonamide
CID 51702411
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methoxynaphthalen-1-yl)benzamide
CID 121044893

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide (CID 163834712) is 4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide is COC1=CC=C(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)c3ccccc23)CC1.
What is the InChIKey of 4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is OGSSPDCXQPGPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-31-19-11-7-17(8-12-19)25(28)26-23-15-16-24(22-6-4-3-5-21(22)23)33(29,30)27-18-9-13-20(32-2)14-10-18/h3-7,9-11,13-16,27H,8,12H2,1-2H3,(H,26,28).
What are the key properties of 4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide?
4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 163834712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).