(E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide

C22H29N3O4S — CID 46235692

IUPAC(E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide
SMILESCN(OCc1ccccc1)S(=O)(=O)CCCCCCNC(=O)/C=C/c1cccnc1
InChIInChI=1S/C22H29N3O4S/c1-25(29-19-21-10-5-4-6-11-21)30(27,28)17-8-3-2-7-16-24-22(26)14-13-20-12-9-15-23-18-20/h4-6,9-15,18H,2-3,7-8,16-17,19H2,1H3,(H,24,26)/b14-13+
InChIKeyHNPJVDIJTBUJEU-BUHFOSPRSA-N
MW431.56 g/mol
LogP3.16
Rot. Bonds13

About (E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 46235692) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is (E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID46235692
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name(E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide
SMILESCN(OCc1ccccc1)S(=O)(=O)CCCCCCNC(=O)/C=C/c1cccnc1
InChIInChI=1S/C22H29N3O4S/c1-25(29-19-21-10-5-4-6-11-21)30(27,28)17-8-3-2-7-16-24-22(26)14-13-20-12-9-15-23-18-20/h4-6,9-15,18H,2-3,7-8,16-17,19H2,1H3,(H,24,26)/b14-13+
InChIKeyHNPJVDIJTBUJEU-BUHFOSPRSA-N
XLogP3.16
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
(E)-N-[5-[4-(phenylsulfamoyl)phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 155540057
N-[7-[benzylsulfonyl(oxan-2-yloxy)amino]heptyl]-3-pyridin-3-ylprop-2-enamide
CID 75303430
N-[6-(cyclohexylmethoxysulfamoyl)hexyl]-3-pyridin-3-ylprop-2-enamide
CID 75310565
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
(E)-N-[3-[3-(phenylsulfamoyl)phenyl]propyl]-3-pyridin-3-ylprop-2-enamide
CID 155524021
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
(E)-N-[6-[3-[(3-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155527509
(E)-N-(5-hydroxy-4-methylpentyl)-3-pyridin-3-ylprop-2-enamide
CID 113340817
(E)-N-[5-[4-[[2-(2-methoxyphenyl)ethyl-propan-2-ylamino]methyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 145100156
N-[4-(1-methylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 54177071
N-[4-[1-(2-phenylethyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54406074

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide (CID 46235692) is (E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide is CN(OCc1ccccc1)S(=O)(=O)CCCCCCNC(=O)/C=C/c1cccnc1.
What is the InChIKey of (E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is HNPJVDIJTBUJEU-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-25(29-19-21-10-5-4-6-11-21)30(27,28)17-8-3-2-7-16-24-22(26)14-13-20-12-9-15-23-18-20/h4-6,9-15,18H,2-3,7-8,16-17,19H2,1H3,(H,24,26)/b14-13+.
What are the key properties of (E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 431.56 g/mol, XLogP of 3.16, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-[methyl(phenylmethoxy)sulfamoyl]hexyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 46235692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).