1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea

C18H22N2O4S — CID 86987230

IUPAC1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCCOc1ccccc1NC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-8-6-5-7-16(17)20-18(21)19-13(2)14-9-11-15(12-10-14)25(3,22)23/h5-13H,4H2,1-3H3,(H2,19,20,21)
InChIKeyBPVSZLXIPWCXBQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.37
Rot. Bonds6

About 1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea

1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea (PubChem CID 86987230) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
PubChem CID86987230
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCCOc1ccccc1NC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-8-6-5-7-16(17)20-18(21)19-13(2)14-9-11-15(12-10-14)25(3,22)23/h5-13H,4H2,1-3H3,(H2,19,20,21)
InChIKeyBPVSZLXIPWCXBQ-UHFFFAOYSA-N
XLogP3.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 133204349
1-[(2R)-but-3-yn-2-yl]-3-(2-ethoxyphenyl)urea
CID 100696926
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30203381
1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-propylurea
CID 94211375
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234
4-(2-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165754
1-(2-ethoxyphenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]thiourea
CID 92512967
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 115795717
2-(2-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096228
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea (CID 86987230) is 1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea is CCOc1ccccc1NC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The InChIKey is BPVSZLXIPWCXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-17-8-6-5-7-16(17)20-18(21)19-13(2)14-9-11-15(12-10-14)25(3,22)23/h5-13H,4H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea has a molecular weight of 362.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea is sourced from PubChem (CID 86987230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).