1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea

C19H25N3O4S — CID 55808225

IUPAC1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea
SMILESCCCOc1cccc(CNC(=O)NCc2cccc(S(=O)(=O)NC)c2)c1
InChIInChI=1S/C19H25N3O4S/c1-3-10-26-17-8-4-6-15(11-17)13-21-19(23)22-14-16-7-5-9-18(12-16)27(24,25)20-2/h4-9,11-12,20H,3,10,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyYSFKSIPZIQMUPW-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.38
Rot. Bonds9

About 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea

1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea (PubChem CID 55808225) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea
PubChem CID55808225
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea
SMILESCCCOc1cccc(CNC(=O)NCc2cccc(S(=O)(=O)NC)c2)c1
InChIInChI=1S/C19H25N3O4S/c1-3-10-26-17-8-4-6-15(11-17)13-21-19(23)22-14-16-7-5-9-18(12-16)27(24,25)20-2/h4-9,11-12,20H,3,10,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyYSFKSIPZIQMUPW-UHFFFAOYSA-N
XLogP2.38
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-ethoxyphenyl)methylamino]methyl]-N-methylbenzenesulfonamide
CID 56824122
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[3-(2-phenylethoxy)propyl]urea
CID 55934144
4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 34637912
2-methyl-1-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110915238
N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide
CID 54893746
1-(benzenesulfonyl)-N-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 70941063
4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide
CID 60517147
4-benzylsulfonyl-N-[(3-propoxyphenyl)methyl]piperazine-1-carboxamide
CID 55809409
1-(1-ethylpyrazol-4-yl)-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
CID 53499866
1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110894196
5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
CID 34646544
1-amino-N-[(3-butoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 83326258

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea?
The IUPAC name of 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea (CID 55808225) is 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea?
The canonical SMILES for 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea is CCCOc1cccc(CNC(=O)NCc2cccc(S(=O)(=O)NC)c2)c1.
What is the InChIKey of 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea?
The InChIKey is YSFKSIPZIQMUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-3-10-26-17-8-4-6-15(11-17)13-21-19(23)22-14-16-7-5-9-18(12-16)27(24,25)20-2/h4-9,11-12,20H,3,10,13-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea?
1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea has a molecular weight of 391.49 g/mol, XLogP of 2.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(3-propoxyphenyl)methyl]urea is sourced from PubChem (CID 55808225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).