N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide

C23H25FN2O3S — CID 16935986

IUPACN-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)NC1CCCCCC1
InChIInChI=1S/C23H25FN2O3S/c24-17-11-13-19(14-12-17)30(28,29)22-15-26(21-10-6-5-9-20(21)22)16-23(27)25-18-7-3-1-2-4-8-18/h5-6,9-15,18H,1-4,7-8,16H2,(H,25,27)
InChIKeyORTVLQHPONKCCK-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.45
Rot. Bonds5

About N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide

N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide (PubChem CID 16935986) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
PubChem CID16935986
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC NameN-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)NC1CCCCCC1
InChIInChI=1S/C23H25FN2O3S/c24-17-11-13-19(14-12-17)30(28,29)22-15-26(21-10-6-5-9-20(21)22)16-23(27)25-18-7-3-1-2-4-8-18/h5-6,9-15,18H,1-4,7-8,16H2,(H,25,27)
InChIKeyORTVLQHPONKCCK-UHFFFAOYSA-N
XLogP4.45
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
CID 30554001
N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935963
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559488
N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935990
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16935925
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
CID 16935905
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936051
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
2-(3-benzoylindol-1-yl)-N-cyclohexylacetamide
CID 2202973
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
CID 645611

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide (CID 16935986) is N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide is O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is ORTVLQHPONKCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c24-17-11-13-19(14-12-17)30(28,29)22-15-26(21-10-6-5-9-20(21)22)16-23(27)25-18-7-3-1-2-4-8-18/h5-6,9-15,18H,1-4,7-8,16H2,(H,25,27).
What are the key properties of N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 428.53 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 16935986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).