N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide

C18H26N2O3S — CID 4914456

IUPACN-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C18H26N2O3S/c1-4-20(5-2)14-8-13-19-24(21,22)18-12-11-17(23-3)15-9-6-7-10-16(15)18/h6-7,9-12,19H,4-5,8,13-14H2,1-3H3
InChIKeyHXNVHRJUNLBCNM-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.86
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide

N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide (PubChem CID 4914456) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
PubChem CID4914456
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C18H26N2O3S/c1-4-20(5-2)14-8-13-19-24(21,22)18-12-11-17(23-3)15-9-6-7-10-16(15)18/h6-7,9-12,19H,4-5,8,13-14H2,1-3H3
InChIKeyHXNVHRJUNLBCNM-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
CID 110446678
N-ethyl-2-[(4-methoxynaphthalen-1-yl)sulfonylamino]acetamide
CID 86985962
4-amino-N-[3-(diethylamino)propyl]-3-hydroxynaphthalene-1-sulfonamide
CID 170254747
N-[4-(diethylamino)butyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110440475
N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
CID 78873411
2-(aminomethyl)-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 16788421
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride
CID 120664583
2-[3-(diethylamino)propylsulfamoyl]benzenecarbothioamide
CID 29269755
N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
CID 164548551

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide (CID 4914456) is N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide is CCN(CC)CCCNS(=O)(=O)c1ccc(OC)c2ccccc12.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide?
The InChIKey is HXNVHRJUNLBCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-4-20(5-2)14-8-13-19-24(21,22)18-12-11-17(23-3)15-9-6-7-10-16(15)18/h6-7,9-12,19H,4-5,8,13-14H2,1-3H3.
What are the key properties of N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide?
N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide has a molecular weight of 350.48 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 4914456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).