N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide

C14H24N2O4S — CID 106058751

IUPACN-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H24N2O4S/c1-4-15-7-5-6-8-21(17,18)16-12-9-13(19-2)11-14(10-12)20-3/h9-11,15-16H,4-8H2,1-3H3
InChIKeyGFQWHYHBTUFXIF-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.84
Rot. Bonds10

About N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide

N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide (PubChem CID 106058751) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide
PubChem CID106058751
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H24N2O4S/c1-4-15-7-5-6-8-21(17,18)16-12-9-13(19-2)11-14(10-12)20-3/h9-11,15-16H,4-8H2,1-3H3
InChIKeyGFQWHYHBTUFXIF-UHFFFAOYSA-N
XLogP1.84
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.84
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

N-(3-bromo-5-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106076725
3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide
CID 54944430
N-(4,6-dimethoxypyrimidin-2-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106089579
N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106047695
3-(ethylamino)-N-(4-methoxy-2-methylphenyl)propane-1-sulfonamide
CID 106056028
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
N-(4-bromo-3-fluorophenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106067072
4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069514
4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide
CID 106057705
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106053295

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide (CID 106058751) is N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide is CCNCCCCS(=O)(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide?
The InChIKey is GFQWHYHBTUFXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-15-7-5-6-8-21(17,18)16-12-9-13(19-2)11-14(10-12)20-3/h9-11,15-16H,4-8H2,1-3H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide?
N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide is sourced from PubChem (CID 106058751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).