1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea

C16H19N3O3S — CID 113068475

IUPAC1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea
SMILESCS(=O)(=O)N(CCNC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)19(15-10-6-3-7-11-15)13-12-17-16(20)18-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H2,17,18,20)
InChIKeyDOOAHDTUUWITFX-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.27
Rot. Bonds6

About 1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea

1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea (PubChem CID 113068475) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea
PubChem CID113068475
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea
SMILESCS(=O)(=O)N(CCNC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N3O3S/c1-23(21,22)19(15-10-6-3-7-11-15)13-12-17-16(20)18-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H2,17,18,20)
InChIKeyDOOAHDTUUWITFX-UHFFFAOYSA-N
XLogP2.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069900
1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068572
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069700
1-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069597
1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea
CID 113070721
methyl 2-[methylsulfonyl-[2-(phenylcarbamoylamino)ethyl]amino]benzoate
CID 113071161
1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea
CID 113068483
1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-phenylurea
CID 113067081
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113071023
3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide
CID 113068437
1-[2-(methylsulfamoyl)ethyl]-3-phenylurea
CID 110292892
N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide
CID 113071325

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea (CID 113068475) is 1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea is CS(=O)(=O)N(CCNC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea?
The InChIKey is DOOAHDTUUWITFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-23(21,22)19(15-10-6-3-7-11-15)13-12-17-16(20)18-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H2,17,18,20).
What are the key properties of 1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea?
1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea has a molecular weight of 333.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea is sourced from PubChem (CID 113068475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).