N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide

C14H19NO5S — CID 75403977

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H19NO5S/c1-2-3-5-14(16)15-21(17,18)11-6-7-12-13(10-11)20-9-4-8-19-12/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyGPLVWWGPSHBMHG-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.84
Rot. Bonds5

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide (PubChem CID 75403977) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide
PubChem CID75403977
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C14H19NO5S/c1-2-3-5-14(16)15-21(17,18)11-6-7-12-13(10-11)20-9-4-8-19-12/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyGPLVWWGPSHBMHG-UHFFFAOYSA-N
XLogP1.84
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]hexanamide
CID 25469711
(3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3-methylhexanamide
CID 95595327
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
(2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-prop-2-enoxypropanamide
CID 95270031
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide
CID 75403568
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-ethoxyphenyl)butanamide
CID 26561486
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-heptan-2-yl]hexanamide
CID 30381788
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid
CID 3796406
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid
CID 3963804
3-amino-N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]propanamide
CID 119270065
N-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 9165528
N-[3-(dimethylamino)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8716732

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide (CID 75403977) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide is CCCCC(=O)NS(=O)(=O)c1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide?
The InChIKey is GPLVWWGPSHBMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-2-3-5-14(16)15-21(17,18)11-6-7-12-13(10-11)20-9-4-8-19-12/h6-7,10H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide has a molecular weight of 313.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pentanamide is sourced from PubChem (CID 75403977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).