N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C17H20N2O4S — CID 3673460

IUPACN-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)NCc3ccco3)cc2CC1C
InChIInChI=1S/C17H20N2O4S/c1-3-17(20)19-12(2)9-13-10-15(6-7-16(13)19)24(21,22)18-11-14-5-4-8-23-14/h4-8,10,12,18H,3,9,11H2,1-2H3
InChIKeyCOKFLWQKVUSMKQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.45
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide

N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 3673460) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID3673460
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)NCc3ccco3)cc2CC1C
InChIInChI=1S/C17H20N2O4S/c1-3-17(20)19-12(2)9-13-10-15(6-7-16(13)19)24(21,22)18-11-14-5-4-8-23-14/h4-8,10,12,18H,3,9,11H2,1-2H3
InChIKeyCOKFLWQKVUSMKQ-UHFFFAOYSA-N
XLogP2.45
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
CID 5288850
Isatin Sulfonamide 34
CID 9847835
(S)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
CID 9821545
(S)-1-(4-methoxybenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
CID 9914167
Isatin Sulfonamide 32
CID 9802549
Isatin Sulfonamide 35
CID 9805997
Isatin Sulfonamide 33
CID 9913141
(S)-1-methyl-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
CID 11509289
(S)-1-(4-fluorobenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
CID 11576852
(S)-1-(4-methoxybenzyl)-5-[1-(2-methoxymethylpyrrolidinyl)-sulfonyl]isatin
CID 11510566
(S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin
CID 11598106
Isatin Sulfonamide 36
CID 9955110

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 3673460) is N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1c2ccc(S(=O)(=O)NCc3ccco3)cc2CC1C.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is COKFLWQKVUSMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-17(20)19-12(2)9-13-10-15(6-7-16(13)19)24(21,22)18-11-14-5-4-8-23-14/h4-8,10,12,18H,3,9,11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 3673460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).