4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide

C19H27N3O4S — CID 20990028

IUPAC4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(N)cc2)cc1OCCN(C)C
InChIInChI=1S/C19H27N3O4S/c1-22(2)12-13-26-19-14-15(4-9-18(19)25-3)10-11-21-27(23,24)17-7-5-16(20)6-8-17/h4-9,14,21H,10-13,20H2,1-3H3
InChIKeyYEQZJIRYSUJKLJ-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.74
Rot. Bonds10

About 4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide

4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide (PubChem CID 20990028) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide
PubChem CID20990028
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(N)cc2)cc1OCCN(C)C
InChIInChI=1S/C19H27N3O4S/c1-22(2)12-13-26-19-14-15(4-9-18(19)25-3)10-11-21-27(23,24)17-7-5-16(20)6-8-17/h4-9,14,21H,10-13,20H2,1-3H3
InChIKeyYEQZJIRYSUJKLJ-UHFFFAOYSA-N
XLogP1.74
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide
CID 22687456
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 25467365
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148827
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 120715614
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3699992
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 25179868
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126206035
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 24792691
methyl 3-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]propanoate
CID 18783983
4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619
4-[2-[(3-butoxy-4-methoxyphenyl)methyl-methylamino]ethyl]aniline
CID 20646928

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide (CID 20990028) is 4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(N)cc2)cc1OCCN(C)C.
What is the InChIKey of 4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide?
The InChIKey is YEQZJIRYSUJKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-22(2)12-13-26-19-14-15(4-9-18(19)25-3)10-11-21-27(23,24)17-7-5-16(20)6-8-17/h4-9,14,21H,10-13,20H2,1-3H3.
What are the key properties of 4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide?
4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 20990028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).