2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide

C21H18N2O4S — CID 16935380

IUPAC2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C21H18N2O4S/c24-21(22-13-16-7-6-12-27-16)15-23-14-20(18-10-4-5-11-19(18)23)28(25,26)17-8-2-1-3-9-17/h1-12,14H,13,15H2,(H,22,24)
InChIKeySQJKIBQUODQGQW-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.38
Rot. Bonds6

About 2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 16935380) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID16935380
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C21H18N2O4S/c24-21(22-13-16-7-6-12-27-16)15-23-14-20(18-10-4-5-11-19(18)23)28(25,26)17-8-2-1-3-9-17/h1-12,14H,13,15H2,(H,22,24)
InChIKeySQJKIBQUODQGQW-UHFFFAOYSA-N
XLogP3.38
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935594
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 1089001
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 963182
2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16935388
2-[3-(benzenesulfonyl)indol-1-yl]-N-(2-ethylphenyl)acetamide
CID 16935414
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
CID 30554001
2-[3-(2-aminobutyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 170889663
N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935990
2-[3-[(E)-2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 1140649
2-[3-(benzenesulfonyl)indol-1-yl]-N,N-dibenzylacetamide
CID 16841490
N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 16935764

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 16935380) is 2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1cc(S(=O)(=O)c2ccccc2)c2ccccc21)NCc1ccco1.
What is the InChIKey of 2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is SQJKIBQUODQGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c24-21(22-13-16-7-6-12-27-16)15-23-14-20(18-10-4-5-11-19(18)23)28(25,26)17-8-2-1-3-9-17/h1-12,14H,13,15H2,(H,22,24).
What are the key properties of 2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 16935380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).