1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea

C19H31N3O3S — CID 86869252

IUPAC1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N(C)CC2CCCC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-15(2)21-26(24,25)14-18-10-8-16(9-11-18)12-20-19(23)22(3)13-17-6-4-5-7-17/h8-11,15,17,21H,4-7,12-14H2,1-3H3,(H,20,23)
InChIKeyIGEKDWXKBLFVTI-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.85
Rot. Bonds8

About 1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea

1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea (PubChem CID 86869252) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
PubChem CID86869252
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N(C)CC2CCCC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-15(2)21-26(24,25)14-18-10-8-16(9-11-18)12-20-19(23)22(3)13-17-6-4-5-7-17/h8-11,15,17,21H,4-7,12-14H2,1-3H3,(H,20,23)
InChIKeyIGEKDWXKBLFVTI-UHFFFAOYSA-N
XLogP2.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea (CID 86869252) is 1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N(C)CC2CCCC2)cc1.
What is the InChIKey of 1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
The InChIKey is IGEKDWXKBLFVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-15(2)21-26(24,25)14-18-10-8-16(9-11-18)12-20-19(23)22(3)13-17-6-4-5-7-17/h8-11,15,17,21H,4-7,12-14H2,1-3H3,(H,20,23).
What are the key properties of 1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea?
1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea has a molecular weight of 381.54 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-1-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 86869252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).