1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea

C18H23N3O3S — CID 46486002

IUPAC1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-14(17-6-4-3-5-7-17)21-18(22)20-12-15-8-10-16(11-9-15)13-25(23,24)19-2/h3-11,14,19H,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyMIPCPBFBIXDIQQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.30
Rot. Bonds7

About 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea

1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea (PubChem CID 46486002) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea
PubChem CID46486002
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-14(17-6-4-3-5-7-17)21-18(22)20-12-15-8-10-16(11-9-15)13-25(23,24)19-2/h3-11,14,19H,12-13H2,1-2H3,(H2,20,21,22)
InChIKeyMIPCPBFBIXDIQQ-UHFFFAOYSA-N
XLogP2.30
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)guanidine
CID 110949090
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
methyl 4-[(1-phenylethylcarbamoylamino)methyl]benzoate
CID 127567013
1-[[3-(methylsulfonylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea
CID 122160036
1-(1-phenylethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42928204
1-benzyl-2-methyl-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110953648
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 38123838
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
1-benzyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 27533694

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea (CID 46486002) is 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea is CNS(=O)(=O)Cc1ccc(CNC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea?
The InChIKey is MIPCPBFBIXDIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14(17-6-4-3-5-7-17)21-18(22)20-12-15-8-10-16(11-9-15)13-25(23,24)19-2/h3-11,14,19H,12-13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea?
1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea has a molecular weight of 361.47 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 46486002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).