N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide

C15H26N2O3S — CID 106058733

IUPACN-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O3S/c1-3-10-16-11-4-5-12-21(18,19)17-13-14-6-8-15(20-2)9-7-14/h6-9,16-17H,3-5,10-13H2,1-2H3
InChIKeyHPYILDTUXRBMPT-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.89
Rot. Bonds11

About N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide

N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide (PubChem CID 106058733) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide
PubChem CID106058733
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C15H26N2O3S/c1-3-10-16-11-4-5-12-21(18,19)17-13-14-6-8-15(20-2)9-7-14/h6-9,16-17H,3-5,10-13H2,1-2H3
InChIKeyHPYILDTUXRBMPT-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.89
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

N-[(4-methoxyphenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106058738
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
CID 106058743
N-[(4-methoxyphenyl)methylsulfamoyl]propan-1-amine
CID 110410258
4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid
CID 28513568
N-[(4-ethylphenyl)methyl]-4-(methylamino)butane-1-sulfonamide
CID 106088943
4-(ethylamino)-N-[(6-methoxy-3-pyridinyl)methyl]butane-1-sulfonamide
CID 106000823
3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide
CID 106088955
N-[(3-chloro-4-fluorophenyl)methyl]-3-(propylamino)propane-1-sulfonamide
CID 106055514
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097
3-(propylamino)-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 106030719
N-(4-ethylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107236784
4-(4-methoxyphenyl)-N-(propylsulfamoyl)butan-1-amine
CID 110628005

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide (CID 106058733) is N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)NCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide?
The InChIKey is HPYILDTUXRBMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-3-10-16-11-4-5-12-21(18,19)17-13-14-6-8-15(20-2)9-7-14/h6-9,16-17H,3-5,10-13H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide?
N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.89, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 106058733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).