N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide

C26H24ClFN2O3S — CID 30292178

IUPACN-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cc(S(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc21
InChIInChI=1S/C26H24ClFN2O3S/c1-2-29(15-19-9-4-3-5-10-19)26(31)17-30-16-25(20-11-6-7-14-24(20)30)34(32,33)18-21-22(27)12-8-13-23(21)28/h3-14,16H,2,15,17-18H2,1H3
InChIKeyZXDHFPMILTZKER-UHFFFAOYSA-N
MW499.01 g/mol
LogP5.46
Rot. Bonds8

About N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide

N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide (PubChem CID 30292178) has the molecular formula C26H24ClFN2O3S and a molecular weight of 499.01 g/mol. Its IUPAC name is N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide
PubChem CID30292178
Molecular FormulaC26H24ClFN2O3S
Molecular Weight499.01 g/mol
Exact Mass498.12
IUPAC NameN-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cc(S(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc21
InChIInChI=1S/C26H24ClFN2O3S/c1-2-29(15-19-9-4-3-5-10-19)26(31)17-30-16-25(20-11-6-7-14-24(20)30)34(32,33)18-21-22(27)12-8-13-23(21)28/h3-14,16H,2,15,17-18H2,1H3
InChIKeyZXDHFPMILTZKER-UHFFFAOYSA-N
XLogP5.46
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.01
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560042
2-[3-[(3,4-dichlorophenyl)methylsulfonyl]indol-1-yl]-N,N-diethylacetamide
CID 16834478
N-benzyl-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N-propan-2-ylacetamide
CID 30559684
2-(3-benzylsulfonylindol-1-yl)-N-butyl-N-ethylacetamide
CID 30558551
2-[3-(benzenesulfonyl)indol-1-yl]-N,N-dibenzylacetamide
CID 16841490
2-[3-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563392
N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292283
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 70169296
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16834544
2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 30292180
N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide
CID 7489774
N,N-diethyl-2-[3-[(4-nitrophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 16834477

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide (CID 30292178) is N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)Cn1cc(S(=O)(=O)Cc2c(F)cccc2Cl)c2ccccc21.
What is the InChIKey of N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide?
The InChIKey is ZXDHFPMILTZKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN2O3S/c1-2-29(15-19-9-4-3-5-10-19)26(31)17-30-16-25(20-11-6-7-14-24(20)30)34(32,33)18-21-22(27)12-8-13-23(21)28/h3-14,16H,2,15,17-18H2,1H3.
What are the key properties of N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide?
N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide has a molecular weight of 499.01 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-N-ethylacetamide is sourced from PubChem (CID 30292178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).