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

C25H26N4O7S — CID 70210949

IUPAC[5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
SMILESO=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCCc3ccccc3)c2)cn1
InChIInChI=1S/C25H26N4O7S/c30-15-14-27-25(33)36-22-12-11-20(17-28-22)24(32)29-37(34,35)21-10-4-9-19(16-21)23(31)26-13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-12,16-17,30H,5,8,13-15H2,(H,26,31)(H,27,33)(H,29,32)
InChIKeyPRCUPRPQBKQXOL-UHFFFAOYSA-N
MW526.57 g/mol
LogP1.64
Rot. Bonds11

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

[5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate (PubChem CID 70210949) has the molecular formula C25H26N4O7S and a molecular weight of 526.57 g/mol. Its IUPAC name is [5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name[5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
PubChem CID70210949
Molecular FormulaC25H26N4O7S
Molecular Weight526.57 g/mol
Exact Mass526.15
IUPAC Name[5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
SMILESO=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCCc3ccccc3)c2)cn1
InChIInChI=1S/C25H26N4O7S/c30-15-14-27-25(33)36-22-12-11-20(17-28-22)24(32)29-37(34,35)21-10-4-9-19(16-21)23(31)26-13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-12,16-17,30H,5,8,13-15H2,(H,26,31)(H,27,33)(H,29,32)
InChIKeyPRCUPRPQBKQXOL-UHFFFAOYSA-N
XLogP1.64
TPSA163.79 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.57
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70212124
[5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70214059
[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-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70212202
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70213172
5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970700
[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
pentan-3-yl [5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
CID 67749243
[5-[[4-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70213168
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate?
The IUPAC name of [5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate (CID 70210949) is [5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for [5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate?
The canonical SMILES for [5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate is O=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCCc3ccccc3)c2)cn1.
What is the InChIKey of [5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate?
The InChIKey is PRCUPRPQBKQXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O7S/c30-15-14-27-25(33)36-22-12-11-20(17-28-22)24(32)29-37(34,35)21-10-4-9-19(16-21)23(31)26-13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-12,16-17,30H,5,8,13-15H2,(H,26,31)(H,27,33)(H,29,32).
What are the key properties of [5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate?
[5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate has a molecular weight of 526.57 g/mol, XLogP of 1.64, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 70210949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).