1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea

C19H24N2O4S — CID 60616401

IUPAC1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea
SMILESCc1ccccc1C(C)NC(=O)Nc1cccc(OCCS(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-14-7-4-5-10-18(14)15(2)20-19(22)21-16-8-6-9-17(13-16)25-11-12-26(3,23)24/h4-10,13,15H,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyDSSPJCCHPNZFOJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.30
Rot. Bonds7

About 1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea

1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea (PubChem CID 60616401) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea
PubChem CID60616401
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea
SMILESCc1ccccc1C(C)NC(=O)Nc1cccc(OCCS(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-14-7-4-5-10-18(14)15(2)20-19(22)21-16-8-6-9-17(13-16)25-11-12-26(3,23)24/h4-10,13,15H,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyDSSPJCCHPNZFOJ-UHFFFAOYSA-N
XLogP3.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[3-(2-methylsulfonylethoxy)phenyl]urea
CID 60616101
2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide
CID 119763991
N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide
CID 47091982
1-[2-(4-fluorophenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea
CID 60616240
1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea
CID 100746647
1-[3-(2-methylsulfonylethoxy)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95299403
3-(2-aminophenyl)-N-[3-(2-methylsulfonylethoxy)phenyl]propanamide;hydrochloride
CID 120610173
(7R)-N-[3-(2-methylsulfonylethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 95633379
2-(3-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140338
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 41102959
(2R)-2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 78972422
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea?
The IUPAC name of 1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea (CID 60616401) is 1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea.
What is the SMILES notation for 1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea?
The canonical SMILES for 1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea is Cc1ccccc1C(C)NC(=O)Nc1cccc(OCCS(C)(=O)=O)c1.
What is the InChIKey of 1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea?
The InChIKey is DSSPJCCHPNZFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-7-4-5-10-18(14)15(2)20-19(22)21-16-8-6-9-17(13-16)25-11-12-26(3,23)24/h4-10,13,15H,11-12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea?
1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea has a molecular weight of 376.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea is sourced from PubChem (CID 60616401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).