N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

C17H21FN2O4S2 — CID 30268780

IUPACN-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCCOCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H21FN2O4S2/c1-2-24-11-4-10-19-16(21)13-20(15-8-6-14(18)7-9-15)26(22,23)17-5-3-12-25-17/h3,5-9,12H,2,4,10-11,13H2,1H3,(H,19,21)
InChIKeyUYEIQOJVWJRGAB-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.63
Rot. Bonds10

About N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide

N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 30268780) has the molecular formula C17H21FN2O4S2 and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID30268780
Molecular FormulaC17H21FN2O4S2
Molecular Weight400.50 g/mol
Exact Mass400.09
IUPAC NameN-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCCOCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H21FN2O4S2/c1-2-24-11-4-10-19-16(21)13-20(15-8-6-14(18)7-9-15)26(22,23)17-5-3-12-25-17/h3,5-9,12H,2,4,10-11,13H2,1H3,(H,19,21)
InChIKeyUYEIQOJVWJRGAB-UHFFFAOYSA-N
XLogP2.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30257544
N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271860
N-(3-ethoxypropyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126152032
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(3-ethoxypropyl)acetamide
CID 92664035
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30278205
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30277815
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30272234
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(1-phenylpropyl)acetamide
CID 43900479
N-[2-(4-methylphenyl)ethyl]-2-(4-methyl-N-thiophen-2-ylsulfonylanilino)acetamide
CID 20855643
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 30265535
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271855

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide (CID 30268780) is N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is CCOCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is UYEIQOJVWJRGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4S2/c1-2-24-11-4-10-19-16(21)13-20(15-8-6-14(18)7-9-15)26(22,23)17-5-3-12-25-17/h3,5-9,12H,2,4,10-11,13H2,1H3,(H,19,21).
What are the key properties of N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide?
N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 400.50 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 30268780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).