N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide

C21H23FN2O3S — CID 71704004

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
SMILESCC(C)n1cc(CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H23FN2O3S/c1-15(2)24-14-16(19-5-3-4-6-20(19)24)13-21(25)23-11-12-28(26,27)18-9-7-17(22)8-10-18/h3-10,14-15H,11-13H2,1-2H3,(H,23,25)
InChIKeyZEUKHRBFOVAEIL-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.49
Rot. Bonds7

About N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide

N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide (PubChem CID 71704004) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
PubChem CID71704004
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
SMILESCC(C)n1cc(CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C21H23FN2O3S/c1-15(2)24-14-16(19-5-3-4-6-20(19)24)13-21(25)23-11-12-28(26,27)18-9-7-17(22)8-10-18/h3-10,14-15H,11-13H2,1-2H3,(H,23,25)
InChIKeyZEUKHRBFOVAEIL-UHFFFAOYSA-N
XLogP3.49
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2-(1-propan-2-ylindol-3-yl)acetamide
CID 71825768
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide
CID 71708611
N-[2-(dimethylamino)ethyl]-3-(1-propan-2-ylindol-3-yl)propanamide
CID 71702555
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865
N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
CID 21034169
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
(2S)-2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 42571227
3-(4-fluorophenyl)-1-propan-2-ylindole
CID 736229
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide (CID 71704004) is N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide is CC(C)n1cc(CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide?
The InChIKey is ZEUKHRBFOVAEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c1-15(2)24-14-16(19-5-3-4-6-20(19)24)13-21(25)23-11-12-28(26,27)18-9-7-17(22)8-10-18/h3-10,14-15H,11-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide?
N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide has a molecular weight of 402.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]-2-(1-propan-2-ylindol-3-yl)acetamide is sourced from PubChem (CID 71704004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).