N-phenyl-N-sulfamoylheptadecanamide

C23H40N2O3S — CID 54212937

IUPACN-phenyl-N-sulfamoylheptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)N(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C23H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(26)25(29(24,27)28)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3,(H2,24,27,28)
InChIKeyPXEOVRYYMJZJGD-UHFFFAOYSA-N
MW424.65 g/mol
LogP6.09
Rot. Bonds17

About N-phenyl-N-sulfamoylheptadecanamide

N-phenyl-N-sulfamoylheptadecanamide (PubChem CID 54212937) has the molecular formula C23H40N2O3S and a molecular weight of 424.65 g/mol. Its IUPAC name is N-phenyl-N-sulfamoylheptadecanamide.

Molecular Properties

Compound NameN-phenyl-N-sulfamoylheptadecanamide
PubChem CID54212937
Molecular FormulaC23H40N2O3S
Molecular Weight424.65 g/mol
Exact Mass424.28
IUPAC NameN-phenyl-N-sulfamoylheptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)N(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C23H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(26)25(29(24,27)28)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3,(H2,24,27,28)
InChIKeyPXEOVRYYMJZJGD-UHFFFAOYSA-N
XLogP6.09
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.65
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-cyanoethyl)-N-phenyloctanamide
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heptyl 6-(N-ethylanilino)-6-oxohexanoate
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4-amino-N-methyl-N-phenyltetradecanamide
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N',N'-diphenyloctadecanehydrazide
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sodium (2R)-2-(N-hexadecanoylanilino)propanoate
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N',N'-diphenyldodecanediamide
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1-methylsulfonyl-1-phenylurea
CID 67458693

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-sulfamoylheptadecanamide?
The IUPAC name of N-phenyl-N-sulfamoylheptadecanamide (CID 54212937) is N-phenyl-N-sulfamoylheptadecanamide.
What is the SMILES notation for N-phenyl-N-sulfamoylheptadecanamide?
The canonical SMILES for N-phenyl-N-sulfamoylheptadecanamide is CCCCCCCCCCCCCCCCC(=O)N(c1ccccc1)S(N)(=O)=O.
What is the InChIKey of N-phenyl-N-sulfamoylheptadecanamide?
The InChIKey is PXEOVRYYMJZJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(26)25(29(24,27)28)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3,(H2,24,27,28).
What are the key properties of N-phenyl-N-sulfamoylheptadecanamide?
N-phenyl-N-sulfamoylheptadecanamide has a molecular weight of 424.65 g/mol, XLogP of 6.09, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-sulfamoylheptadecanamide is sourced from PubChem (CID 54212937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).