1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea

C15H17N3O4S — CID 51085372

IUPAC1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O4S/c1-22-14-13(8-5-9-16-14)18-15(19)17-10-11-23(20,21)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyXGZCJSOURRWAKY-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.69
Rot. Bonds6

About 1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea

1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea (PubChem CID 51085372) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
PubChem CID51085372
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
SMILESCOc1ncccc1NC(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O4S/c1-22-14-13(8-5-9-16-14)18-15(19)17-10-11-23(20,21)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyXGZCJSOURRWAKY-UHFFFAOYSA-N
XLogP1.69
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 55744742
N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
CID 21034169
1-(2-phenoxy-3-pyridinyl)-3-propylurea
CID 47041336
1-(4-methoxybutyl)-3-(2-phenoxy-3-pyridinyl)urea
CID 47041319
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
1-(2-methoxy-3-pyridinyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47260319
N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide
CID 22046512
1-(2-methoxy-3-pyridinyl)-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 126792773
3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 62727393

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea (CID 51085372) is 1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea is COc1ncccc1NC(=O)NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea?
The InChIKey is XGZCJSOURRWAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-22-14-13(8-5-9-16-14)18-15(19)17-10-11-23(20,21)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea?
1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea has a molecular weight of 335.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 51085372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).