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

C17H21N3O3S — CID 113068572

IUPAC1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
SMILESCc1ccccc1N(CCNC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-14-8-6-7-11-16(14)20(24(2,22)23)13-12-18-17(21)19-15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H2,18,19,21)
InChIKeyXILIHRLBZZYRKK-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.58
Rot. Bonds6

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

1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea (PubChem CID 113068572) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
PubChem CID113068572
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
SMILESCc1ccccc1N(CCNC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-14-8-6-7-11-16(14)20(24(2,22)23)13-12-18-17(21)19-15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H2,18,19,21)
InChIKeyXILIHRLBZZYRKK-UHFFFAOYSA-N
XLogP2.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068475
1-[2-(N-methylsulfonyl-2-propan-2-yloxyanilino)ethyl]-3-phenylurea
CID 113070721
methyl 2-[methylsulfonyl-[2-(phenylcarbamoylamino)ethyl]amino]benzoate
CID 113071161
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068580
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
1-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069900
N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113068548
N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141712
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea (CID 113068572) is 1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea is Cc1ccccc1N(CCNC(=O)Nc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea?
The InChIKey is XILIHRLBZZYRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-14-8-6-7-11-16(14)20(24(2,22)23)13-12-18-17(21)19-15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea?
1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea has a molecular weight of 347.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea is sourced from PubChem (CID 113068572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).