[5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate

C25H26N4O8S — CID 70212124

IUPAC[5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
SMILESCOc1ccccc1CCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCO)nc2)c1
InChIInChI=1S/C25H26N4O8S/c1-36-21-8-3-2-5-17(21)11-12-26-23(31)18-6-4-7-20(15-18)38(34,35)29-24(32)19-9-10-22(28-16-19)37-25(33)27-13-14-30/h2-10,15-16,30H,11-14H2,1H3,(H,26,31)(H,27,33)(H,29,32)
InChIKeyXZYMZXCNYYKPSD-UHFFFAOYSA-N
MW542.57 g/mol
LogP1.26
Rot. Bonds11

About [5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate

[5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate (PubChem CID 70212124) has the molecular formula C25H26N4O8S and a molecular weight of 542.57 g/mol. Its IUPAC name is [5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name[5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
PubChem CID70212124
Molecular FormulaC25H26N4O8S
Molecular Weight542.57 g/mol
Exact Mass542.15
IUPAC Name[5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
SMILESCOc1ccccc1CCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCO)nc2)c1
InChIInChI=1S/C25H26N4O8S/c1-36-21-8-3-2-5-17(21)11-12-26-23(31)18-6-4-7-20(15-18)38(34,35)29-24(32)19-9-10-22(28-16-19)37-25(33)27-13-14-30/h2-10,15-16,30H,11-14H2,1H3,(H,26,31)(H,27,33)(H,29,32)
InChIKeyXZYMZXCNYYKPSD-UHFFFAOYSA-N
XLogP1.26
TPSA173.02 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.57
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

[5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70210949
[5-[[4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70212108
[5-[[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate
CID 67749573
2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970382
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70213172
[5-[[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70210901
[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70212189
[5-[[4-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70212202
[5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70214059
5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970700
2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970743
[5-[[4-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70213168

Frequently Asked Questions

What is the IUPAC name of [5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate?
The IUPAC name of [5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate (CID 70212124) is [5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for [5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate?
The canonical SMILES for [5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate is COc1ccccc1CCNC(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCO)nc2)c1.
What is the InChIKey of [5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate?
The InChIKey is XZYMZXCNYYKPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O8S/c1-36-21-8-3-2-5-17(21)11-12-26-23(31)18-6-4-7-20(15-18)38(34,35)29-24(32)19-9-10-22(28-16-19)37-25(33)27-13-14-30/h2-10,15-16,30H,11-14H2,1H3,(H,26,31)(H,27,33)(H,29,32).
What are the key properties of [5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate?
[5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate has a molecular weight of 542.57 g/mol, XLogP of 1.26, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 70212124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).