ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide

C23H29N5O3S2 — CID 171813810

IUPACethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide
SMILESCC.Cc1nsc(-c2ccc(C)c(NCC(=O)N3CCc4c(NS(C)(=O)=O)cccc43)c2)n1
InChIInChI=1S/C21H23N5O3S2.C2H6/c1-13-7-8-15(21-23-14(2)24-30-21)11-18(13)22-12-20(27)26-10-9-16-17(25-31(3,28)29)5-4-6-19(16)26;1-2/h4-8,11,22,25H,9-10,12H2,1-3H3;1-2H3
InChIKeyCORYYZDMUXWSOV-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.22
Rot. Bonds6

About ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide

ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide (PubChem CID 171813810) has the molecular formula C23H29N5O3S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide.

Molecular Properties

Compound Nameethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide
PubChem CID171813810
Molecular FormulaC23H29N5O3S2
Molecular Weight487.65 g/mol
Exact Mass487.17
IUPAC Nameethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide
SMILESCC.Cc1nsc(-c2ccc(C)c(NCC(=O)N3CCc4c(NS(C)(=O)=O)cccc43)c2)n1
InChIInChI=1S/C21H23N5O3S2.C2H6/c1-13-7-8-15(21-23-14(2)24-30-21)11-18(13)22-12-20(27)26-10-9-16-17(25-31(3,28)29)5-4-6-19(16)26;1-2/h4-8,11,22,25H,9-10,12H2,1-3H3;1-2H3
InChIKeyCORYYZDMUXWSOV-UHFFFAOYSA-N
XLogP4.22
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide?
The IUPAC name of ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide (CID 171813810) is ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide.
What is the SMILES notation for ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide?
The canonical SMILES for ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide is CC.Cc1nsc(-c2ccc(C)c(NCC(=O)N3CCc4c(NS(C)(=O)=O)cccc43)c2)n1.
What is the InChIKey of ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide?
The InChIKey is CORYYZDMUXWSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S2.C2H6/c1-13-7-8-15(21-23-14(2)24-30-21)11-18(13)22-12-20(27)26-10-9-16-17(25-31(3,28)29)5-4-6-19(16)26;1-2/h4-8,11,22,25H,9-10,12H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide?
ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide has a molecular weight of 487.65 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-[2-[2-methyl-5-(3-methyl-1,2,4-thiadiazol-5-yl)anilino]acetyl]-2,3-dihydroindol-4-yl]methanesulfonamide is sourced from PubChem (CID 171813810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).