4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide

C21H24FN3O3S — CID 27645506

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide
SMILESCN(CCCC(=O)NCCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O3S/c1-25(29(27,28)18-10-8-17(22)9-11-18)14-4-7-21(26)23-13-12-16-15-24-20-6-3-2-5-19(16)20/h2-3,5-6,8-11,15,24H,4,7,12-14H2,1H3,(H,23,26)
InChIKeyPEUKWBVJDZUTRG-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.07
Rot. Bonds9

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide (PubChem CID 27645506) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide
PubChem CID27645506
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide
SMILESCN(CCCC(=O)NCCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O3S/c1-25(29(27,28)18-10-8-17(22)9-11-18)14-4-7-21(26)23-13-12-16-15-24-20-6-3-2-5-19(16)20/h2-3,5-6,8-11,15,24H,4,7,12-14H2,1H3,(H,23,26)
InChIKeyPEUKWBVJDZUTRG-UHFFFAOYSA-N
XLogP3.07
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 18107802
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110343313
N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 17470412
N-[2-(2,6-dichlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 60566227
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(methylamino)propyl]butanamide
CID 119430306
4-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645316
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
3-(4-fluorophenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 30284044
3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109021183
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide (CID 27645506) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide is CN(CCCC(=O)NCCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide?
The InChIKey is PEUKWBVJDZUTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c1-25(29(27,28)18-10-8-17(22)9-11-18)14-4-7-21(26)23-13-12-16-15-24-20-6-3-2-5-19(16)20/h2-3,5-6,8-11,15,24H,4,7,12-14H2,1H3,(H,23,26).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide has a molecular weight of 417.51 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide is sourced from PubChem (CID 27645506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).