(E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide

C19H23N3O5S — CID 18409174

IUPAC(E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide
SMILESCOCCOc1ccc(CCNC(=O)/C=C/c2ccccn2)cc1S(N)(=O)=O
InChIInChI=1S/C19H23N3O5S/c1-26-12-13-27-17-7-5-15(14-18(17)28(20,24)25)9-11-22-19(23)8-6-16-4-2-3-10-21-16/h2-8,10,14H,9,11-13H2,1H3,(H,22,23)(H2,20,24,25)/b8-6+
InChIKeyKZIYLSIHYUURHG-SOFGYWHQSA-N
MW405.48 g/mol
LogP1.13
Rot. Bonds10

About (E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide

(E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide (PubChem CID 18409174) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is (E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide
PubChem CID18409174
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name(E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide
SMILESCOCCOc1ccc(CCNC(=O)/C=C/c2ccccn2)cc1S(N)(=O)=O
InChIInChI=1S/C19H23N3O5S/c1-26-12-13-27-17-7-5-15(14-18(17)28(20,24)25)9-11-22-19(23)8-6-16-4-2-3-10-21-16/h2-8,10,14H,9,11-13H2,1H3,(H,22,23)(H2,20,24,25)/b8-6+
InChIKeyKZIYLSIHYUURHG-SOFGYWHQSA-N
XLogP1.13
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 18409151
(E)-N-[2-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 18409162
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 18318624
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 11304701
N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]cyclohexene-1-carboxamide
CID 18673705
(E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide
CID 75463833
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647
tert-butyl N-[2-(3-pyridin-2-ylprop-2-enoylamino)ethyl]carbamate
CID 103598780
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 4646130
3-(2,4-dimethoxyphenyl)-N-[2-(4-iodo-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 54491467
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 8781311
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-4-ylprop-2-enamide
CID 34908473

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide (CID 18409174) is (E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide is COCCOc1ccc(CCNC(=O)/C=C/c2ccccn2)cc1S(N)(=O)=O.
What is the InChIKey of (E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide?
The InChIKey is KZIYLSIHYUURHG-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-26-12-13-27-17-7-5-15(14-18(17)28(20,24)25)9-11-22-19(23)8-6-16-4-2-3-10-21-16/h2-8,10,14H,9,11-13H2,1H3,(H,22,23)(H2,20,24,25)/b8-6+.
What are the key properties of (E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide?
(E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide has a molecular weight of 405.48 g/mol, XLogP of 1.13, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 18409174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).