N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide

C17H18N2O4S — CID 24993852

IUPACN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(C)=O)c32)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)18-16-5-3-4-13-10-11-19(17(13)16)24(21,22)15-8-6-14(23-2)7-9-15/h3-9H,10-11H2,1-2H3,(H,18,20)
InChIKeyWMZMARMELCMINZ-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.40
Rot. Bonds4

About N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide

N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide (PubChem CID 24993852) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
PubChem CID24993852
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3cccc(NC(C)=O)c32)cc1
InChIInChI=1S/C17H18N2O4S/c1-12(20)18-16-5-3-4-13-10-11-19(17(13)16)24(21,22)15-8-6-14(23-2)7-9-15/h3-9H,10-11H2,1-2H3,(H,18,20)
InChIKeyWMZMARMELCMINZ-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide (CID 24993852) is N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide is COc1ccc(S(=O)(=O)N2CCc3cccc(NC(C)=O)c32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide?
The InChIKey is WMZMARMELCMINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(20)18-16-5-3-4-13-10-11-19(17(13)16)24(21,22)15-8-6-14(23-2)7-9-15/h3-9H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide?
N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]acetamide is sourced from PubChem (CID 24993852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).