1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea

C22H25N3O4S — CID 24612073

IUPAC1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C22H25N3O4S/c1-23-30(27,28)15-17-5-3-16(4-6-17)13-24-22(26)25-14-18-7-8-20-12-21(29-2)10-9-19(20)11-18/h3-12,23H,13-15H2,1-2H3,(H2,24,25,26)
InChIKeyJVTPAPXXGDSNKF-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.90
Rot. Bonds8

About 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea

1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea (PubChem CID 24612073) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
PubChem CID24612073
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C22H25N3O4S/c1-23-30(27,28)15-17-5-3-16(4-6-17)13-24-22(26)25-14-18-7-8-20-12-21(29-2)10-9-19(20)11-18/h3-12,23H,13-15H2,1-2H3,(H2,24,25,26)
InChIKeyJVTPAPXXGDSNKF-UHFFFAOYSA-N
XLogP2.90
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

2-(4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17419617
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 55483301
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33117583
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 56826090
1-[(4-methoxyphenyl)methyl]-1,2-dimethyl-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111271625
4-(acetamidomethyl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 17454314
1-[1-(4-fluorophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 24612610

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea (CID 24612073) is 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea is CNS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc3cc(OC)ccc3c2)cc1.
What is the InChIKey of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea?
The InChIKey is JVTPAPXXGDSNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-23-30(27,28)15-17-5-3-16(4-6-17)13-24-22(26)25-14-18-7-8-20-12-21(29-2)10-9-19(20)11-18/h3-12,23H,13-15H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea?
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea has a molecular weight of 427.53 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 24612073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).