[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate

C20H24N4O7S — CID 70210869

IUPAC[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate
SMILESCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCOCC)nc2)cc1
InChIInChI=1S/C20H24N4O7S/c1-3-21-18(25)14-5-8-16(9-6-14)32(28,29)24-19(26)15-7-10-17(23-13-15)31-20(27)22-11-12-30-4-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,25)(H,22,27)(H,24,26)
InChIKeyWQOJTGUXWSLRAT-UHFFFAOYSA-N
MW464.50 g/mol
LogP1.07
Rot. Bonds10

About [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate

[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate (PubChem CID 70210869) has the molecular formula C20H24N4O7S and a molecular weight of 464.50 g/mol. Its IUPAC name is [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate.

Molecular Properties

Compound Name[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate
PubChem CID70210869
Molecular FormulaC20H24N4O7S
Molecular Weight464.50 g/mol
Exact Mass464.14
IUPAC Name[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate
SMILESCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCOCC)nc2)cc1
InChIInChI=1S/C20H24N4O7S/c1-3-21-18(25)14-5-8-16(9-6-14)32(28,29)24-19(26)15-7-10-17(23-13-15)31-20(27)22-11-12-30-4-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,25)(H,22,27)(H,24,26)
InChIKeyWQOJTGUXWSLRAT-UHFFFAOYSA-N
XLogP1.07
TPSA152.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[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-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70212189
[5-[[4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-aminoacetyl)carbamate
CID 70212511
[5-[[4-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70213168
[5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70214059
[5-[[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70210901
[5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate
CID 70214053
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
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate?
The IUPAC name of [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate (CID 70210869) is [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate.
What is the SMILES notation for [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate?
The canonical SMILES for [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate is CCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCOCC)nc2)cc1.
What is the InChIKey of [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate?
The InChIKey is WQOJTGUXWSLRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O7S/c1-3-21-18(25)14-5-8-16(9-6-14)32(28,29)24-19(26)15-7-10-17(23-13-15)31-20(27)22-11-12-30-4-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,25)(H,22,27)(H,24,26).
What are the key properties of [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate?
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate has a molecular weight of 464.50 g/mol, XLogP of 1.07, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate is sourced from PubChem (CID 70210869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).