methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate

C24H23N3O7S — CID 67749385

IUPACmethyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
SMILESCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3)cc2)cn1
InChIInChI=1S/C24H23N3O7S/c1-33-24(30)34-22-12-9-19(16-26-22)23(29)27-35(31,32)20-10-7-17(8-11-20)13-14-25-21(28)15-18-5-3-2-4-6-18/h2-12,16H,13-15H2,1H3,(H,25,28)(H,27,29)
InChIKeyGQSXZOULWFXOKT-UHFFFAOYSA-N
MW497.53 g/mol
LogP2.25
Rot. Bonds9

About methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate

methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate (PubChem CID 67749385) has the molecular formula C24H23N3O7S and a molecular weight of 497.53 g/mol. Its IUPAC name is methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate.

Molecular Properties

Compound Namemethyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
PubChem CID67749385
Molecular FormulaC24H23N3O7S
Molecular Weight497.53 g/mol
Exact Mass497.13
IUPAC Namemethyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
SMILESCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3)cc2)cn1
InChIInChI=1S/C24H23N3O7S/c1-33-24(30)34-22-12-9-19(16-26-22)23(29)27-35(31,32)20-10-7-17(8-11-20)13-14-25-21(28)15-18-5-3-2-4-6-18/h2-12,16H,13-15H2,1H3,(H,25,28)(H,27,29)
InChIKeyGQSXZOULWFXOKT-UHFFFAOYSA-N
XLogP2.25
TPSA140.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
CID 19970641
propan-2-yl 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 67712719
[5-[[4-[2-(2-ethylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] pentan-3-yl carbonate
CID 67749317
[5-[[4-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70212202
(4-methoxyphenyl)methyl 5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928143
[5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate
CID 67749394
[5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] pentyl carbonate
CID 67749377
pentan-3-yl [5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
CID 67749243
2-N-(2-methoxyethyl)-5-N-[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970692
[5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749212
[5-[[4-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749206
methyl 5-[[4-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928421

Frequently Asked Questions

What is the IUPAC name of methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate?
The IUPAC name of methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate (CID 67749385) is methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate.
What is the SMILES notation for methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate?
The canonical SMILES for methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate is COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3)cc2)cn1.
What is the InChIKey of methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate?
The InChIKey is GQSXZOULWFXOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O7S/c1-33-24(30)34-22-12-9-19(16-26-22)23(29)27-35(31,32)20-10-7-17(8-11-20)13-14-25-21(28)15-18-5-3-2-4-6-18/h2-12,16H,13-15H2,1H3,(H,25,28)(H,27,29).
What are the key properties of methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate?
methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate has a molecular weight of 497.53 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate is sourced from PubChem (CID 67749385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).