2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide

C23H27FN2O5S — CID 30560021

IUPAC2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)Cn1cc(S(=O)(=O)Cc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C23H27FN2O5S/c1-30-12-10-25(11-13-31-2)23(27)16-26-15-22(20-8-3-4-9-21(20)26)32(28,29)17-18-6-5-7-19(24)14-18/h3-9,14-15H,10-13,16-17H2,1-2H3
InChIKeyHJBNRBCPUPXUGS-UHFFFAOYSA-N
MW462.54 g/mol
LogP2.88
Rot. Bonds11

About 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide

2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide (PubChem CID 30560021) has the molecular formula C23H27FN2O5S and a molecular weight of 462.54 g/mol. Its IUPAC name is 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide
PubChem CID30560021
Molecular FormulaC23H27FN2O5S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC Name2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)Cn1cc(S(=O)(=O)Cc2cccc(F)c2)c2ccccc21
InChIInChI=1S/C23H27FN2O5S/c1-30-12-10-25(11-13-31-2)23(27)16-26-15-22(20-8-3-4-9-21(20)26)32(28,29)17-18-6-5-7-19(24)14-18/h3-9,14-15H,10-13,16-17H2,1-2H3
InChIKeyHJBNRBCPUPXUGS-UHFFFAOYSA-N
XLogP2.88
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dibenzyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560042
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 30560175
N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292283
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 30560046
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292273
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 30292321
N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560337
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292300
2-(3-benzylsulfonylindol-1-yl)-N-butyl-N-ethylacetamide
CID 30558551
2-[3-[(3,4-dichlorophenyl)methylsulfonyl]indol-1-yl]-N,N-diethylacetamide
CID 16834478
1-[(4-chlorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfonyl]indole
CID 43952954
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 20911230

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide (CID 30560021) is 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide is COCCN(CCOC)C(=O)Cn1cc(S(=O)(=O)Cc2cccc(F)c2)c2ccccc21.
What is the InChIKey of 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide?
The InChIKey is HJBNRBCPUPXUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O5S/c1-30-12-10-25(11-13-31-2)23(27)16-26-15-22(20-8-3-4-9-21(20)26)32(28,29)17-18-6-5-7-19(24)14-18/h3-9,14-15H,10-13,16-17H2,1-2H3.
What are the key properties of 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide?
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide has a molecular weight of 462.54 g/mol, XLogP of 2.88, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide is sourced from PubChem (CID 30560021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).