1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea

C17H20N2O4S — CID 110754998

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccccc1CCNC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H20N2O4S/c1-13-7-9-15(10-8-13)24(21,22)19-17(20)18-12-11-14-5-3-4-6-16(14)23-2/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyLASJLJOYNBBPRS-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.23
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea

1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 110754998) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID110754998
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccccc1CCNC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H20N2O4S/c1-13-7-9-15(10-8-13)24(21,22)19-17(20)18-12-11-14-5-3-4-6-16(14)23-2/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyLASJLJOYNBBPRS-UHFFFAOYSA-N
XLogP2.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
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CID 44586473
N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]-4-methylbenzenesulfonamide
CID 112983555
3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
1-(2-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
CID 32545082
1-[2-(2-methoxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 110674272
N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 44995797
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
2-amino-N-[2-(2-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666713
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019924
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea (CID 110754998) is 1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea is COc1ccccc1CCNC(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is LASJLJOYNBBPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-7-9-15(10-8-13)24(21,22)19-17(20)18-12-11-14-5-3-4-6-16(14)23-2/h3-10H,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea?
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 348.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 110754998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).