N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide

C22H22N2O4S — CID 3245771

IUPACN-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC(=O)N2CCc3ccccc32)c2ccco2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16-8-10-18(11-9-16)29(26,27)23-19(21-7-4-14-28-21)15-22(25)24-13-12-17-5-2-3-6-20(17)24/h2-11,14,19,23H,12-13,15H2,1H3
InChIKeyWPAJEQHWJVMVJC-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.59
Rot. Bonds6

About N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide

N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide (PubChem CID 3245771) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
PubChem CID3245771
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CC(=O)N2CCc3ccccc32)c2ccco2)cc1
InChIInChI=1S/C22H22N2O4S/c1-16-8-10-18(11-9-16)29(26,27)23-19(21-7-4-14-28-21)15-22(25)24-13-12-17-5-2-3-6-20(17)24/h2-11,14,19,23H,12-13,15H2,1H3
InChIKeyWPAJEQHWJVMVJC-UHFFFAOYSA-N
XLogP3.59
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.59
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
(S)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
CID 9821545
Isatin Sulfonamide 32
CID 9802549
4-[ethyl(phenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3314293
(1-Anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
3-{[(2-furylmethyl)amino]sulfonyl}-N-phenylbenzamide
CID 1368140
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2086440
N-{4-[(Furan-2-ylmethyl)-sulfamoyl]-phenyl}-3-methoxy-benzamide
CID 644418
N-Furan-2-ylmethyl-2-{(2-methoxy-phenyl)-[2-(toluene-4-sulfonylamino)-acetyl]-amino}-butyramide
CID 652230
N-(2-furanylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 654829
N-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)phenyl]-2-furamide
CID 655792
2-[(4-ethoxyphenyl)sulfonylamino]-N-(2-furanylmethyl)benzamide
CID 1085670

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide (CID 3245771) is N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CC(=O)N2CCc3ccccc32)c2ccco2)cc1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide?
The InChIKey is WPAJEQHWJVMVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-16-8-10-18(11-9-16)29(26,27)23-19(21-7-4-14-28-21)15-22(25)24-13-12-17-5-2-3-6-20(17)24/h2-11,14,19,23H,12-13,15H2,1H3.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide?
N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)-1-(furan-2-yl)-3-oxopropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3245771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).