1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea

C15H23N3O5S — CID 3242475

IUPAC1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea
SMILESCCCCN(C(=O)NC(=O)Nc1ccccc1OCC)S(C)(=O)=O
InChIInChI=1S/C15H23N3O5S/c1-4-6-11-18(24(3,21)22)15(20)17-14(19)16-12-9-7-8-10-13(12)23-5-2/h7-10H,4-6,11H2,1-3H3,(H2,16,17,19,20)
InChIKeyQYFRPSWHAIYGKZ-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.39
Rot. Bonds7

About 1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea

1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea (PubChem CID 3242475) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea.

Molecular Properties

Compound Name1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea
PubChem CID3242475
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Name1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea
SMILESCCCCN(C(=O)NC(=O)Nc1ccccc1OCC)S(C)(=O)=O
InChIInChI=1S/C15H23N3O5S/c1-4-6-11-18(24(3,21)22)15(20)17-14(19)16-12-9-7-8-10-13(12)23-5-2/h7-10H,4-6,11H2,1-3H3,(H2,16,17,19,20)
InChIKeyQYFRPSWHAIYGKZ-UHFFFAOYSA-N
XLogP2.39
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea?
The IUPAC name of 1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea (CID 3242475) is 1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea.
What is the SMILES notation for 1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea?
The canonical SMILES for 1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea is CCCCN(C(=O)NC(=O)Nc1ccccc1OCC)S(C)(=O)=O.
What is the InChIKey of 1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea?
The InChIKey is QYFRPSWHAIYGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-4-6-11-18(24(3,21)22)15(20)17-14(19)16-12-9-7-8-10-13(12)23-5-2/h7-10H,4-6,11H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea?
1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea has a molecular weight of 357.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(2-ethoxyphenyl)carbamoyl]-1-methylsulfonylurea is sourced from PubChem (CID 3242475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).