1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea

C22H25N3O3S — CID 24616463

IUPAC1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H25N3O3S/c1-16(2)25-29(27,28)15-19-10-4-3-9-18(19)14-23-22(26)24-21-13-7-11-17-8-5-6-12-20(17)21/h3-13,16,25H,14-15H2,1-2H3,(H2,23,24,26)
InChIKeyHHXPRVRDSLPXES-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.99
Rot. Bonds7

About 1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea

1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea (PubChem CID 24616463) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
PubChem CID24616463
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H25N3O3S/c1-16(2)25-29(27,28)15-19-10-4-3-9-18(19)14-23-22(26)24-21-13-7-11-17-8-5-6-12-20(17)21/h3-13,16,25H,14-15H2,1-2H3,(H2,23,24,26)
InChIKeyHHXPRVRDSLPXES-UHFFFAOYSA-N
XLogP3.99
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 17405433
2-methyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 31945509
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 119307081
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 119307075
(2S)-2-amino-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 119307074
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145
2,6-dichloro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 112803909
3-(2-aminophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609935
1-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 112807006
2-cyclopentyl-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]acetamide
CID 18121313
3-(4-fluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 18121351

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea (CID 24616463) is 1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea is CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
The InChIKey is HHXPRVRDSLPXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-16(2)25-29(27,28)15-19-10-4-3-9-18(19)14-23-22(26)24-21-13-7-11-17-8-5-6-12-20(17)21/h3-13,16,25H,14-15H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea has a molecular weight of 411.53 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 24616463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).