2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

C20H21N3O6S — CID 20856565

IUPAC2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)NCc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C20H21N3O6S/c1-13(24)23-7-6-15-9-16(3-4-17(15)23)30(26,27)22-11-20(25)21-10-14-2-5-18-19(8-14)29-12-28-18/h2-5,8-9,22H,6-7,10-12H2,1H3,(H,21,25)
InChIKeyXCZDZMBYRUEICY-UHFFFAOYSA-N
MW431.47 g/mol
LogP0.92
Rot. Bonds6

About 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (PubChem CID 20856565) has the molecular formula C20H21N3O6S and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
PubChem CID20856565
Molecular FormulaC20H21N3O6S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC Name2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)NCc3ccc4c(c3)OCO4)ccc21
InChIInChI=1S/C20H21N3O6S/c1-13(24)23-7-6-15-9-16(3-4-17(15)23)30(26,27)22-11-20(25)21-10-14-2-5-18-19(8-14)29-12-28-18/h2-5,8-9,22H,6-7,10-12H2,1H3,(H,21,25)
InChIKeyXCZDZMBYRUEICY-UHFFFAOYSA-N
XLogP0.92
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53004989
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995217
(3S)-1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(1,3-benzodioxol-5-ylmethyl)piperidine-3-carboxamide
CID 92714875
1-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26539719
N-(1,3-benzodioxol-5-ylmethyl)-2-(dimethylsulfamoylamino)acetamide
CID 112992858
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
CID 112990706
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
CID 112994953
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 112992292
N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-methylpropylsulfanyl)-3-nitrophenyl]sulfonylamino]acetamide
CID 4845163
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[(2-methylphenyl)methyl]acetamide
CID 112992128
N-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46274896
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
The IUPAC name of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CID 20856565) is 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide is CC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)NCc3ccc4c(c3)OCO4)ccc21.
What is the InChIKey of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
The InChIKey is XCZDZMBYRUEICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S/c1-13(24)23-7-6-15-9-16(3-4-17(15)23)30(26,27)22-11-20(25)21-10-14-2-5-18-19(8-14)29-12-28-18/h2-5,8-9,22H,6-7,10-12H2,1H3,(H,21,25).
What are the key properties of 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide has a molecular weight of 431.47 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide is sourced from PubChem (CID 20856565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).