N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide

C17H20N4O5S — CID 110615311

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H20N4O5S/c1-11-17(12(2)26-20-11)27(24,25)19-9-15(22)18-10-16(23)21-8-7-13-5-3-4-6-14(13)21/h3-6,19H,7-10H2,1-2H3,(H,18,22)
InChIKeyHQFIDIGSTJXHEW-UHFFFAOYSA-N
MW392.44 g/mol
LogP0.28
Rot. Bonds6

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide (PubChem CID 110615311) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
PubChem CID110615311
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H20N4O5S/c1-11-17(12(2)26-20-11)27(24,25)19-9-15(22)18-10-16(23)21-8-7-13-5-3-4-6-14(13)21/h3-6,19H,7-10H2,1-2H3,(H,18,22)
InChIKeyHQFIDIGSTJXHEW-UHFFFAOYSA-N
XLogP0.28
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide (CID 110615311) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide is Cc1noc(C)c1S(=O)(=O)NCC(=O)NCC(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide?
The InChIKey is HQFIDIGSTJXHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-11-17(12(2)26-20-11)27(24,25)19-9-15(22)18-10-16(23)21-8-7-13-5-3-4-6-14(13)21/h3-6,19H,7-10H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide has a molecular weight of 392.44 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide is sourced from PubChem (CID 110615311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).