2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

C24H28FN3O3S — CID 30560046

IUPAC2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cn2cc(S(=O)(=O)Cc3cccc(F)c3)c3ccccc32)CC1
InChIInChI=1S/C24H28FN3O3S/c1-26-12-10-20(11-13-26)27(2)24(29)16-28-15-23(21-8-3-4-9-22(21)28)32(30,31)17-18-6-5-7-19(25)14-18/h3-9,14-15,20H,10-13,16-17H2,1-2H3
InChIKeyKMEQSWHABBHYJL-UHFFFAOYSA-N
MW457.57 g/mol
LogP3.31
Rot. Bonds6

About 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 30560046) has the molecular formula C24H28FN3O3S and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID30560046
Molecular FormulaC24H28FN3O3S
Molecular Weight457.57 g/mol
Exact Mass457.18
IUPAC Name2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cn2cc(S(=O)(=O)Cc3cccc(F)c3)c3ccccc32)CC1
InChIInChI=1S/C24H28FN3O3S/c1-26-12-10-20(11-13-26)27(2)24(29)16-28-15-23(21-8-3-4-9-22(21)28)32(30,31)17-18-6-5-7-19(25)14-18/h3-9,14-15,20H,10-13,16-17H2,1-2H3
InChIKeyKMEQSWHABBHYJL-UHFFFAOYSA-N
XLogP3.31
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 20911230
N,N-dibenzyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560042
N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292283
2-[3-(benzenesulfonyl)indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16935299
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-bis(2-methoxyethyl)acetamide
CID 30560021
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292273
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 43958313
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 70169296
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 30560175
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292300
1-[(4-chlorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfonyl]indole
CID 43952954
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclohexyl-N-methylacetamide
CID 16935293

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (CID 30560046) is 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C)C(=O)Cn2cc(S(=O)(=O)Cc3cccc(F)c3)c3ccccc32)CC1.
What is the InChIKey of 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is KMEQSWHABBHYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3S/c1-26-12-10-20(11-13-26)27(2)24(29)16-28-15-23(21-8-3-4-9-22(21)28)32(30,31)17-18-6-5-7-19(25)14-18/h3-9,14-15,20H,10-13,16-17H2,1-2H3.
What are the key properties of 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 457.57 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 30560046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).