N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide

C22H20N2O4S — CID 16935594

IUPACN-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1
InChIInChI=1S/C22H20N2O4S/c1-16-8-10-18(11-9-16)29(26,27)21-14-24(20-7-3-2-6-19(20)21)15-22(25)23-13-17-5-4-12-28-17/h2-12,14H,13,15H2,1H3,(H,23,25)
InChIKeyDDTNZEIUVQQDEZ-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.69
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide (PubChem CID 16935594) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
PubChem CID16935594
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1
InChIInChI=1S/C22H20N2O4S/c1-16-8-10-18(11-9-16)29(26,27)21-14-24(20-7-3-2-6-19(20)21)15-22(25)23-13-17-5-4-12-28-17/h2-12,14H,13,15H2,1H3,(H,23,25)
InChIKeyDDTNZEIUVQQDEZ-UHFFFAOYSA-N
XLogP3.69
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(benzenesulfonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16935380
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935668
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-pyridin-3-ylacetamide
CID 16935688
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 963182
N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935677
2-[3-(4-methylphenyl)sulfonylindol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16935690
2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 1089001
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
N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935963
N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 16935764

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide (CID 16935594) is N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide is Cc1ccc(S(=O)(=O)c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is DDTNZEIUVQQDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-16-8-10-18(11-9-16)29(26,27)21-14-24(20-7-3-2-6-19(20)21)15-22(25)23-13-17-5-4-12-28-17/h2-12,14H,13,15H2,1H3,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 16935594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).