2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C22H24N4O7S — CID 45354834

IUPAC2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O
InChIInChI=1S/C22H24N4O7S/c1-2-22(15-7-4-3-5-8-15)20(28)26(21(29)24-22)25-19(27)14-23-34(30,31)16-9-10-17-18(13-16)33-12-6-11-32-17/h3-5,7-10,13,23H,2,6,11-12,14H2,1H3,(H,24,29)(H,25,27)
InChIKeyIPHHSMYAYKUKMV-UHFFFAOYSA-N
MW488.52 g/mol
LogP1.01
Rot. Bonds7

About 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 45354834) has the molecular formula C22H24N4O7S and a molecular weight of 488.52 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID45354834
Molecular FormulaC22H24N4O7S
Molecular Weight488.52 g/mol
Exact Mass488.14
IUPAC Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O
InChIInChI=1S/C22H24N4O7S/c1-2-22(15-7-4-3-5-8-15)20(28)26(21(29)24-22)25-19(27)14-23-34(30,31)16-9-10-17-18(13-16)33-12-6-11-32-17/h3-5,7-10,13,23H,2,6,11-12,14H2,1H3,(H,24,29)(H,25,27)
InChIKeyIPHHSMYAYKUKMV-UHFFFAOYSA-N
XLogP1.01
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8922680
5-bromo-N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 24549185
3-cyclopentyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]propanamide
CID 9293678
N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 24549178
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237
2-(4-acetylpiperazin-1-yl)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 43012938
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]oxane-4-carboxamide
CID 52528557
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-thiophen-2-ylacetamide
CID 9293561
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 29484707
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 9171843
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 11931716
2-(4-ethoxyphenoxy)-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 9294106

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 45354834) is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCC1(c2ccccc2)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O.
What is the InChIKey of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is IPHHSMYAYKUKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O7S/c1-2-22(15-7-4-3-5-8-15)20(28)26(21(29)24-22)25-19(27)14-23-34(30,31)16-9-10-17-18(13-16)33-12-6-11-32-17/h3-5,7-10,13,23H,2,6,11-12,14H2,1H3,(H,24,29)(H,25,27).
What are the key properties of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 488.52 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 45354834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).