N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide

C19H24N2O5S2 — CID 31323268

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESC=CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H24N2O5S2/c1-4-11-21(28(23,24)19-6-5-12-27-19)14-18(22)20-10-9-15-7-8-16(25-2)17(13-15)26-3/h4-8,12-13H,1,9-11,14H2,2-3H3,(H,20,22)
InChIKeyPGIVCNZOLLBGOT-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.30
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 31323268) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID31323268
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESC=CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H24N2O5S2/c1-4-11-21(28(23,24)19-6-5-12-27-19)14-18(22)20-10-9-15-7-8-16(25-2)17(13-15)26-3/h4-8,12-13H,1,9-11,14H2,2-3H3,(H,20,22)
InChIKeyPGIVCNZOLLBGOT-UHFFFAOYSA-N
XLogP2.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221650
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 45372052
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2264008
N-[2-(4-methylphenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855643
N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 26055182
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2279376
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45375557
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 4023832
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
CID 22427360
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 3117777
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 55411817

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 31323268) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide is C=CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is PGIVCNZOLLBGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-4-11-21(28(23,24)19-6-5-12-27-19)14-18(22)20-10-9-15-7-8-16(25-2)17(13-15)26-3/h4-8,12-13H,1,9-11,14H2,2-3H3,(H,20,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 424.54 g/mol, XLogP of 2.30, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 31323268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).