N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide

C20H17FN2O3S2 — CID 30273131

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C20H17FN2O3S2/c21-16-7-2-4-9-18(16)23(28(25,26)20-10-5-13-27-20)14-19(24)22-12-11-15-6-1-3-8-17(15)22/h1-10,13H,11-12,14H2
InChIKeyHKNWOLJNOLXLNZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide (PubChem CID 30273131) has the molecular formula C20H17FN2O3S2 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide
PubChem CID30273131
Molecular FormulaC20H17FN2O3S2
Molecular Weight416.50 g/mol
Exact Mass416.07
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C20H17FN2O3S2/c21-16-7-2-4-9-18(16)23(28(25,26)20-10-5-13-27-20)14-19(24)22-12-11-15-6-1-3-8-17(15)22/h1-10,13H,11-12,14H2
InChIKeyHKNWOLJNOLXLNZ-UHFFFAOYSA-N
XLogP3.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide
CID 43900928
1-[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 30267650
N,N-diethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30256313
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 5053534
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43900934
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide
CID 51565179
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-propan-2-ylacetamide
CID 30255419
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 30302278
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30273145
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265604
N-(2-benzylsulfanylethyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30263213

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide (CID 30273131) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide is O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide?
The InChIKey is HKNWOLJNOLXLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S2/c21-16-7-2-4-9-18(16)23(28(25,26)20-10-5-13-27-20)14-19(24)22-12-11-15-6-1-3-8-17(15)22/h1-10,13H,11-12,14H2.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide has a molecular weight of 416.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 30273131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).