N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide

C17H28N2O5S — CID 17192698

IUPACN-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCCCCOCCCNC(=O)CCNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O5S/c1-3-4-13-24-14-5-11-18-17(20)10-12-19-25(21,22)16-8-6-15(23-2)7-9-16/h6-9,19H,3-5,10-14H2,1-2H3,(H,18,20)
InChIKeyFOUKHUMAECILDD-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.69
Rot. Bonds13

About N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide

N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 17192698) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID17192698
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC NameN-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCCCCOCCCNC(=O)CCNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H28N2O5S/c1-3-4-13-24-14-5-11-18-17(20)10-12-19-25(21,22)16-8-6-15(23-2)7-9-16/h6-9,19H,3-5,10-14H2,1-2H3,(H,18,20)
InChIKeyFOUKHUMAECILDD-UHFFFAOYSA-N
XLogP1.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methoxyphenyl)sulfonylamino]-N-nonylpropanamide
CID 43052252
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 5154817
N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192241
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55349463
2-(4-butylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 33433831
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 27646822
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
N-[1,3-bis[3-[3-[(4-methoxyphenyl)sulfonylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[(4-methoxyphenyl)sulfonylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]-5-oxohexanamide
CID 138548816
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 17192698) is N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide is CCCCOCCCNC(=O)CCNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is FOUKHUMAECILDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-3-4-13-24-14-5-11-18-17(20)10-12-19-25(21,22)16-8-6-15(23-2)7-9-16/h6-9,19H,3-5,10-14H2,1-2H3,(H,18,20).
What are the key properties of N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 372.49 g/mol, XLogP of 1.69, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17192698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).