1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea

C15H24N4O3S — CID 122136241

IUPAC1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1
InChIInChI=1S/C15H24N4O3S/c1-18(2)11-10-16-15(20)17-12-4-8-14(9-5-12)23(21,22)19(3)13-6-7-13/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H2,16,17,20)
InChIKeyFQBYLCOEUGPQIV-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.15
Rot. Bonds7

About 1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea

1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea (PubChem CID 122136241) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea
PubChem CID122136241
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1
InChIInChI=1S/C15H24N4O3S/c1-18(2)11-10-16-15(20)17-12-4-8-14(9-5-12)23(21,22)19(3)13-6-7-13/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H2,16,17,20)
InChIKeyFQBYLCOEUGPQIV-UHFFFAOYSA-N
XLogP1.15
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea (CID 122136241) is 1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1.
What is the InChIKey of 1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is FQBYLCOEUGPQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-18(2)11-10-16-15(20)17-12-4-8-14(9-5-12)23(21,22)19(3)13-6-7-13/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea?
1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 340.45 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 122136241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).