7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide

C24H34N2O4S — CID 3690697

IUPAC7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide
SMILESCCCc1ccc(OCCNC(=O)CCCCCCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H34N2O4S/c1-2-10-21-14-16-22(17-15-21)30-20-19-25-24(27)13-8-3-4-9-18-26-31(28,29)23-11-6-5-7-12-23/h5-7,11-12,14-17,26H,2-4,8-10,13,18-20H2,1H3,(H,25,27)
InChIKeyUSZDLMYLMKIRKW-UHFFFAOYSA-N
MW446.61 g/mol
LogP4.06
Rot. Bonds15

About 7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide

7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide (PubChem CID 3690697) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is 7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide.

Molecular Properties

Compound Name7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide
PubChem CID3690697
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC Name7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide
SMILESCCCc1ccc(OCCNC(=O)CCCCCCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H34N2O4S/c1-2-10-21-14-16-22(17-15-21)30-20-19-25-24(27)13-8-3-4-9-18-26-31(28,29)23-11-6-5-7-12-23/h5-7,11-12,14-17,26H,2-4,8-10,13,18-20H2,1H3,(H,25,27)
InChIKeyUSZDLMYLMKIRKW-UHFFFAOYSA-N
XLogP4.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 54.06
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-phenoxyethyl)heptanamide
CID 4178016
2-(4-phenylphenyl)-N-[2-(4-propylphenoxy)ethyl]acetamide
CID 100517253
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
CID 18128082
6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
CID 43237660
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
3-(4-ethylphenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108807272
4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
CID 106058279
N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704245

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide?
The IUPAC name of 7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide (CID 3690697) is 7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide.
What is the SMILES notation for 7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide?
The canonical SMILES for 7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide is CCCc1ccc(OCCNC(=O)CCCCCCNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide?
The InChIKey is USZDLMYLMKIRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-2-10-21-14-16-22(17-15-21)30-20-19-25-24(27)13-8-3-4-9-18-26-31(28,29)23-11-6-5-7-12-23/h5-7,11-12,14-17,26H,2-4,8-10,13,18-20H2,1H3,(H,25,27).
What are the key properties of 7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide?
7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide has a molecular weight of 446.61 g/mol, XLogP of 4.06, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonamido)-N-[2-(4-propylphenoxy)ethyl]heptanamide is sourced from PubChem (CID 3690697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).