[5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate

C24H29N3O7S — CID 67749394

IUPAC[5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(=O)CC3CCCCC3)c2)cn1
InChIInChI=1S/C24H29N3O7S/c1-33-24(30)34-22-11-10-19(16-26-22)23(29)27-35(31,32)20-9-5-8-18(14-20)12-13-25-21(28)15-17-6-3-2-4-7-17/h5,8-11,14,16-17H,2-4,6-7,12-13,15H2,1H3,(H,25,28)(H,27,29)
InChIKeyUYAJYOBTHASLBX-UHFFFAOYSA-N
MW503.58 g/mol
LogP2.97
Rot. Bonds9

About [5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate

[5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate (PubChem CID 67749394) has the molecular formula C24H29N3O7S and a molecular weight of 503.58 g/mol. Its IUPAC name is [5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate.

Molecular Properties

Compound Name[5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate
PubChem CID67749394
Molecular FormulaC24H29N3O7S
Molecular Weight503.58 g/mol
Exact Mass503.17
IUPAC Name[5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(=O)CC3CCCCC3)c2)cn1
InChIInChI=1S/C24H29N3O7S/c1-33-24(30)34-22-11-10-19(16-26-22)23(29)27-35(31,32)20-9-5-8-18(14-20)12-13-25-21(28)15-17-6-3-2-4-7-17/h5,8-11,14,16-17H,2-4,6-7,12-13,15H2,1H3,(H,25,28)(H,27,29)
InChIKeyUYAJYOBTHASLBX-UHFFFAOYSA-N
XLogP2.97
TPSA140.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate with MolForge

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Related Compounds

[5-[[4-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749206
methyl [5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
CID 67749385
5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylic acid
CID 19928140
[5-[[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate
CID 67749573
5-[[4-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928229
[5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate
CID 67749274
methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928102
2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970743
[5-[[4-[2-(2-ethylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] pentan-3-yl carbonate
CID 67749317
[5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] pentyl carbonate
CID 67749377
[5-[[4-[2-[(2,5-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749326
methyl [5-(methylsulfonylcarbamoyl)-2-pyridinyl] carbonate
CID 67749491

Frequently Asked Questions

What is the IUPAC name of [5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate?
The IUPAC name of [5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate (CID 67749394) is [5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate.
What is the SMILES notation for [5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate?
The canonical SMILES for [5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate is COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(=O)CC3CCCCC3)c2)cn1.
What is the InChIKey of [5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate?
The InChIKey is UYAJYOBTHASLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O7S/c1-33-24(30)34-22-11-10-19(16-26-22)23(29)27-35(31,32)20-9-5-8-18(14-20)12-13-25-21(28)15-17-6-3-2-4-7-17/h5,8-11,14,16-17H,2-4,6-7,12-13,15H2,1H3,(H,25,28)(H,27,29).
What are the key properties of [5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate?
[5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate has a molecular weight of 503.58 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate is sourced from PubChem (CID 67749394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).