N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide

C21H26N4O6S — CID 2998453

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C21H26N4O6S/c1-2-24(15-21(26)23-16-3-5-18-19(13-16)31-12-11-30-18)20-6-4-17(14-22-20)32(27,28)25-7-9-29-10-8-25/h3-6,13-14H,2,7-12,15H2,1H3,(H,23,26)
InChIKeyLLPPMIAUDYJIEO-UHFFFAOYSA-N
MW462.53 g/mol
LogP1.34
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide (PubChem CID 2998453) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide
PubChem CID2998453
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C21H26N4O6S/c1-2-24(15-21(26)23-16-3-5-18-19(13-16)31-12-11-30-18)20-6-4-17(14-22-20)32(27,28)25-7-9-29-10-8-25/h3-6,13-14H,2,7-12,15H2,1H3,(H,23,26)
InChIKeyLLPPMIAUDYJIEO-UHFFFAOYSA-N
XLogP1.34
TPSA110.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide (CID 2998453) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide?
The InChIKey is LLPPMIAUDYJIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S/c1-2-24(15-21(26)23-16-3-5-18-19(13-16)31-12-11-30-18)20-6-4-17(14-22-20)32(27,28)25-7-9-29-10-8-25/h3-6,13-14H,2,7-12,15H2,1H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide has a molecular weight of 462.53 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 2998453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).