2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide

C19H17FN2O3S2 — CID 90596889

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1F)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C19H17FN2O3S2/c20-17-7-3-4-8-18(17)27(24,25)22-12-19(23)21-11-14-5-1-2-6-16(14)15-9-10-26-13-15/h1-10,13,22H,11-12H2,(H,21,23)
InChIKeyDOWNUPCURFLEON-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.15
Rot. Bonds7

About 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide

2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide (PubChem CID 90596889) has the molecular formula C19H17FN2O3S2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
PubChem CID90596889
Molecular FormulaC19H17FN2O3S2
Molecular Weight404.49 g/mol
Exact Mass404.07
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1F)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C19H17FN2O3S2/c20-17-7-3-4-8-18(17)27(24,25)22-12-19(23)21-11-14-5-1-2-6-16(14)15-9-10-26-13-15/h1-10,13,22H,11-12H2,(H,21,23)
InChIKeyDOWNUPCURFLEON-UHFFFAOYSA-N
XLogP3.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596877
2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide
CID 90596831
N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
4-(4-fluorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596881
4-fluoro-3-methyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 71809982
N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide
CID 90596997
5-fluoro-2-methoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597100
4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597091
4-tert-butyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597107
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide (CID 90596889) is 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide is O=C(CNS(=O)(=O)c1ccccc1F)NCc1ccccc1-c1ccsc1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The InChIKey is DOWNUPCURFLEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S2/c20-17-7-3-4-8-18(17)27(24,25)22-12-19(23)21-11-14-5-1-2-6-16(14)15-9-10-26-13-15/h1-10,13,22H,11-12H2,(H,21,23).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide has a molecular weight of 404.49 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide is sourced from PubChem (CID 90596889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).