7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide

C21H28N2O4S — CID 4178016

IUPAC7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide
SMILESO=C(CCCCCCNS(=O)(=O)c1ccccc1)NCCOc1ccccc1
InChIInChI=1S/C21H28N2O4S/c24-21(22-17-18-27-19-11-5-3-6-12-19)15-9-1-2-10-16-23-28(25,26)20-13-7-4-8-14-20/h3-8,11-14,23H,1-2,9-10,15-18H2,(H,22,24)
InChIKeyAMCWBHIGIGTCJD-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.11
Rot. Bonds13

About 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide

7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide (PubChem CID 4178016) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide.

Molecular Properties

Compound Name7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide
PubChem CID4178016
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide
SMILESO=C(CCCCCCNS(=O)(=O)c1ccccc1)NCCOc1ccccc1
InChIInChI=1S/C21H28N2O4S/c24-21(22-17-18-27-19-11-5-3-6-12-19)15-9-1-2-10-16-23-28(25,26)20-13-7-4-8-14-20/h3-8,11-14,23H,1-2,9-10,15-18H2,(H,22,24)
InChIKeyAMCWBHIGIGTCJD-UHFFFAOYSA-N
XLogP3.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide
CID 3690697
6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
CID 32998656
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
5-bromo-N-(3-phenoxypropyl)pentanamide
CID 107909983
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
N-[6-(2-benzoylhydrazinyl)-6-oxohexyl]benzenesulfonamide
CID 10810370
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide?
The IUPAC name of 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide (CID 4178016) is 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide.
What is the SMILES notation for 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide?
The canonical SMILES for 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide is O=C(CCCCCCNS(=O)(=O)c1ccccc1)NCCOc1ccccc1.
What is the InChIKey of 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide?
The InChIKey is AMCWBHIGIGTCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c24-21(22-17-18-27-19-11-5-3-6-12-19)15-9-1-2-10-16-23-28(25,26)20-13-7-4-8-14-20/h3-8,11-14,23H,1-2,9-10,15-18H2,(H,22,24).
What are the key properties of 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide?
7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide has a molecular weight of 404.53 g/mol, XLogP of 3.11, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonamido)-N-(2-phenoxyethyl)heptanamide is sourced from PubChem (CID 4178016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).