(E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide

C27H44N4O5S — CID 73353677

IUPAC(E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCCS(=O)(=O)N(CCN1CCOCC1)OCC1CCCCC1
InChIInChI=1S/C27H44N4O5S/c32-27(13-12-25-11-8-14-28-23-25)29-15-6-1-2-7-22-37(33,34)31(17-16-30-18-20-35-21-19-30)36-24-26-9-4-3-5-10-26/h8,11-14,23,26H,1-7,9-10,15-22,24H2,(H,29,32)/b13-12+
InChIKeyRCXAZFLDKVQKEZ-OUKQBFOZSA-N
MW536.74 g/mol
LogP3.25
Rot. Bonds16

About (E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 73353677) has the molecular formula C27H44N4O5S and a molecular weight of 536.74 g/mol. Its IUPAC name is (E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID73353677
Molecular FormulaC27H44N4O5S
Molecular Weight536.74 g/mol
Exact Mass536.30
IUPAC Name(E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCCCS(=O)(=O)N(CCN1CCOCC1)OCC1CCCCC1
InChIInChI=1S/C27H44N4O5S/c32-27(13-12-25-11-8-14-28-23-25)29-15-6-1-2-7-22-37(33,34)31(17-16-30-18-20-35-21-19-30)36-24-26-9-4-3-5-10-26/h8,11-14,23,26H,1-7,9-10,15-22,24H2,(H,29,32)/b13-12+
InChIKeyRCXAZFLDKVQKEZ-OUKQBFOZSA-N
XLogP3.25
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide (CID 73353677) is (E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCCCCCCS(=O)(=O)N(CCN1CCOCC1)OCC1CCCCC1.
What is the InChIKey of (E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is RCXAZFLDKVQKEZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C27H44N4O5S/c32-27(13-12-25-11-8-14-28-23-25)29-15-6-1-2-7-22-37(33,34)31(17-16-30-18-20-35-21-19-30)36-24-26-9-4-3-5-10-26/h8,11-14,23,26H,1-7,9-10,15-22,24H2,(H,29,32)/b13-12+.
What are the key properties of (E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 536.74 g/mol, XLogP of 3.25, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-[cyclohexylmethoxy(2-morpholin-4-ylethyl)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 73353677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).