(E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide

C19H24N2O5S2 — CID 18409151

IUPAC(E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCOCCOc1ccc(CCNC(=O)/C=C/c2cccs2)cc1S(N)(=O)=O
InChIInChI=1S/C19H24N2O5S2/c1-2-25-11-12-26-17-7-5-15(14-18(17)28(20,23)24)9-10-21-19(22)8-6-16-4-3-13-27-16/h3-8,13-14H,2,9-12H2,1H3,(H,21,22)(H2,20,23,24)/b8-6+
InChIKeyKCLQOAJUYJKCKC-SOFGYWHQSA-N
MW424.54 g/mol
LogP2.18
Rot. Bonds11

About (E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 18409151) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is (E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID18409151
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name(E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCOCCOc1ccc(CCNC(=O)/C=C/c2cccs2)cc1S(N)(=O)=O
InChIInChI=1S/C19H24N2O5S2/c1-2-25-11-12-26-17-7-5-15(14-18(17)28(20,23)24)9-10-21-19(22)8-6-16-4-3-13-27-16/h3-8,13-14H,2,9-12H2,1H3,(H,21,22)(H2,20,23,24)/b8-6+
InChIKeyKCLQOAJUYJKCKC-SOFGYWHQSA-N
XLogP2.18
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.18
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-[3-sulfamoyl-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 18409162
(E)-N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-pyridin-2-ylprop-2-enamide
CID 18409174
N-[2-[4-methoxy-3-[methylcarbamoyl(sulfanyl)sulfamoyl]phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 90766291
2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate
CID 78788566
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 11304701
(E)-3-(2,4-dimethoxyphenyl)-N-[2-(4-phenylmethoxy-3-sulfamoylphenyl)ethyl]prop-2-enamide
CID 18318624
(E)-3-thiophen-2-yl-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 17407233
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 8781311
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 2418056
(E)-N-(2-amino-2-ethylbutyl)-3-thiophen-2-ylprop-2-enamide
CID 81483652
(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 82994511
N-[2-[4-(2-methoxyethoxy)-3-sulfamoylphenyl]ethyl]cyclohexene-1-carboxamide
CID 18673705

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide (CID 18409151) is (E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide is CCOCCOc1ccc(CCNC(=O)/C=C/c2cccs2)cc1S(N)(=O)=O.
What is the InChIKey of (E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is KCLQOAJUYJKCKC-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-2-25-11-12-26-17-7-5-15(14-18(17)28(20,23)24)9-10-21-19(22)8-6-16-4-3-13-27-16/h3-8,13-14H,2,9-12H2,1H3,(H,21,22)(H2,20,23,24)/b8-6+.
What are the key properties of (E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-[4-(2-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 424.54 g/mol, XLogP of 2.18, 11 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-ethoxyethoxy)-3-sulfamoylphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 18409151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).