N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide

C20H23FN2O3S — CID 112506348

IUPACN-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide
SMILESCCCCS(=O)(=O)N1CCc2ccc(NC(=O)Cc3ccc(F)cc3)cc21
InChIInChI=1S/C20H23FN2O3S/c1-2-3-12-27(25,26)23-11-10-16-6-9-18(14-19(16)23)22-20(24)13-15-4-7-17(21)8-5-15/h4-9,14H,2-3,10-13H2,1H3,(H,22,24)
InChIKeyNLPXPTXMJVMMKK-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.50
Rot. Bonds7

About N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide

N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 112506348) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide
PubChem CID112506348
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide
SMILESCCCCS(=O)(=O)N1CCc2ccc(NC(=O)Cc3ccc(F)cc3)cc21
InChIInChI=1S/C20H23FN2O3S/c1-2-3-12-27(25,26)23-11-10-16-6-9-18(14-19(16)23)22-20(24)13-15-4-7-17(21)8-5-15/h4-9,14H,2-3,10-13H2,1H3,(H,22,24)
InChIKeyNLPXPTXMJVMMKK-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636833
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011
1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea
CID 110623674
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504259
1-(2-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386154
2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27636751
N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide
CID 71918240
1-[(4-fluorophenyl)methyl]-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 30372783
4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine
CID 103504260
1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386113
1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-methylsulfanylphenyl)urea
CID 46386100

Frequently Asked Questions

What is the IUPAC name of N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide (CID 112506348) is N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide is CCCCS(=O)(=O)N1CCc2ccc(NC(=O)Cc3ccc(F)cc3)cc21.
What is the InChIKey of N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is NLPXPTXMJVMMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-2-3-12-27(25,26)23-11-10-16-6-9-18(14-19(16)23)22-20(24)13-15-4-7-17(21)8-5-15/h4-9,14H,2-3,10-13H2,1H3,(H,22,24).
What are the key properties of N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide?
N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 390.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 112506348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).