1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea

C24H21N3O4S — CID 59656517

IUPAC1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H21N3O4S/c1-31-19-13-11-18(12-14-19)27-32(29,30)23-16-15-22(20-9-5-6-10-21(20)23)26-24(28)25-17-7-3-2-4-8-17/h2-16,27H,1H3,(H2,25,26,28)
InChIKeyQWEFATNJPIYJCY-UHFFFAOYSA-N
MW447.52 g/mol
LogP5.29
Rot. Bonds6

About 1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea

1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea (PubChem CID 59656517) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is 1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea
PubChem CID59656517
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H21N3O4S/c1-31-19-13-11-18(12-14-19)27-32(29,30)23-16-15-22(20-9-5-6-10-21(20)23)26-24(28)25-17-7-3-2-4-8-17/h2-16,27H,1H3,(H2,25,26,28)
InChIKeyQWEFATNJPIYJCY-UHFFFAOYSA-N
XLogP5.29
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.52
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]cyclohexa-1,3-diene-1-carboxamide
CID 163834712
N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide
CID 59656404
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 118386826
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
1-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]urea
CID 1405682
1-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-phenylurea
CID 4185237
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
4-methoxy-N-phenylbenzenesulfonamide
CID 835273

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea?
The IUPAC name of 1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea (CID 59656517) is 1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea?
The canonical SMILES for 1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea?
The InChIKey is QWEFATNJPIYJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-31-19-13-11-18(12-14-19)27-32(29,30)23-16-15-22(20-9-5-6-10-21(20)23)26-24(28)25-17-7-3-2-4-8-17/h2-16,27H,1H3,(H2,25,26,28).
What are the key properties of 1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea?
1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea has a molecular weight of 447.52 g/mol, XLogP of 5.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methoxyphenyl)sulfamoyl]naphthalen-1-yl]-3-phenylurea is sourced from PubChem (CID 59656517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).