7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide

C18H28N2O5S — CID 11153338

IUPAC7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide
SMILESO=C(CCCCCCS(=O)(=O)NOC1CCCCO1)Nc1ccccc1
InChIInChI=1S/C18H28N2O5S/c21-17(19-16-10-4-3-5-11-16)12-6-1-2-9-15-26(22,23)20-25-18-13-7-8-14-24-18/h3-5,10-11,18,20H,1-2,6-9,12-15H2,(H,19,21)
InChIKeyWSMVVDVNAVCNAP-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.95
Rot. Bonds11

About 7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide

7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide (PubChem CID 11153338) has the molecular formula C18H28N2O5S and a molecular weight of 384.50 g/mol. Its IUPAC name is 7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide.

Molecular Properties

Compound Name7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide
PubChem CID11153338
Molecular FormulaC18H28N2O5S
Molecular Weight384.50 g/mol
Exact Mass384.17
IUPAC Name7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide
SMILESO=C(CCCCCCS(=O)(=O)NOC1CCCCO1)Nc1ccccc1
InChIInChI=1S/C18H28N2O5S/c21-17(19-16-10-4-3-5-11-16)12-6-1-2-9-15-26(22,23)20-25-18-13-7-8-14-24-18/h3-5,10-11,18,20H,1-2,6-9,12-15H2,(H,19,21)
InChIKeyWSMVVDVNAVCNAP-UHFFFAOYSA-N
XLogP2.95
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide
CID 175242104
4-methylsulfonyl-N-(oxan-2-yloxy)butanamide
CID 89073669
7-bromo-N-phenylheptanamide
CID 11266084
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide
CID 126840011
N-(oxan-2-yloxy)hexanamide
CID 142707517
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
(6-anilino-6-oxohexyl) acetate
CID 154158064

Frequently Asked Questions

What is the IUPAC name of 7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide?
The IUPAC name of 7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide (CID 11153338) is 7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide.
What is the SMILES notation for 7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide?
The canonical SMILES for 7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide is O=C(CCCCCCS(=O)(=O)NOC1CCCCO1)Nc1ccccc1.
What is the InChIKey of 7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide?
The InChIKey is WSMVVDVNAVCNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5S/c21-17(19-16-10-4-3-5-11-16)12-6-1-2-9-15-26(22,23)20-25-18-13-7-8-14-24-18/h3-5,10-11,18,20H,1-2,6-9,12-15H2,(H,19,21).
What are the key properties of 7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide?
7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide has a molecular weight of 384.50 g/mol, XLogP of 2.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide is sourced from PubChem (CID 11153338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).