[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate

C20H24N4O8S — CID 70212189

IUPAC[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCOC)cc2)cn1
InChIInChI=1S/C20H24N4O8S/c1-30-11-9-21-18(25)14-3-6-16(7-4-14)33(28,29)24-19(26)15-5-8-17(23-13-15)32-20(27)22-10-12-31-2/h3-8,13H,9-12H2,1-2H3,(H,21,25)(H,22,27)(H,24,26)
InChIKeyGXMDJIYHMJTTNP-UHFFFAOYSA-N
MW480.50 g/mol
LogP0.31
Rot. Bonds11

About [5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate

[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate (PubChem CID 70212189) has the molecular formula C20H24N4O8S and a molecular weight of 480.50 g/mol. Its IUPAC name is [5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
PubChem CID70212189
Molecular FormulaC20H24N4O8S
Molecular Weight480.50 g/mol
Exact Mass480.13
IUPAC Name[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCOC)cc2)cn1
InChIInChI=1S/C20H24N4O8S/c1-30-11-9-21-18(25)14-3-6-16(7-4-14)33(28,29)24-19(26)15-5-8-17(23-13-15)32-20(27)22-10-12-31-2/h3-8,13H,9-12H2,1-2H3,(H,21,25)(H,22,27)(H,24,26)
InChIKeyGXMDJIYHMJTTNP-UHFFFAOYSA-N
XLogP0.31
TPSA162.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70214059
[5-[[4-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70213168
[5-[[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70210901
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate
CID 70210869
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70213172
[5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate
CID 70213122
[5-[[4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70212108
[5-[[4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-aminoacetyl)carbamate
CID 70212511
2-[[5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl]oxycarbonylamino]ethyl acetate
CID 70210874
ethyl [5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
CID 67749474
heptan-4-yl [5-[[4-(2-phenoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
CID 67749392
[5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749212

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate?
The IUPAC name of [5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate (CID 70212189) is [5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate.
What is the SMILES notation for [5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate?
The canonical SMILES for [5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate is COCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCOC)cc2)cn1.
What is the InChIKey of [5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate?
The InChIKey is GXMDJIYHMJTTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O8S/c1-30-11-9-21-18(25)14-3-6-16(7-4-14)33(28,29)24-19(26)15-5-8-17(23-13-15)32-20(27)22-10-12-31-2/h3-8,13H,9-12H2,1-2H3,(H,21,25)(H,22,27)(H,24,26).
What are the key properties of [5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate?
[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate has a molecular weight of 480.50 g/mol, XLogP of 0.31, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 70212189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).