4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide

C20H28N2O4S — CID 22687456

IUPAC4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide
SMILESCCCCCOc1cc(CCNS(=O)(=O)c2ccc(N)cc2)ccc1OC
InChIInChI=1S/C20H28N2O4S/c1-3-4-5-14-26-20-15-16(6-11-19(20)25-2)12-13-22-27(23,24)18-9-7-17(21)8-10-18/h6-11,15,22H,3-5,12-14,21H2,1-2H3
InChIKeyRWRRZFUPYLXNNL-UHFFFAOYSA-N
MW392.52 g/mol
LogP3.37
Rot. Bonds11

About 4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide

4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 22687456) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is 4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide
PubChem CID22687456
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide
SMILESCCCCCOc1cc(CCNS(=O)(=O)c2ccc(N)cc2)ccc1OC
InChIInChI=1S/C20H28N2O4S/c1-3-4-5-14-26-20-15-16(6-11-19(20)25-2)12-13-22-27(23,24)18-9-7-17(21)8-10-18/h6-11,15,22H,3-5,12-14,21H2,1-2H3
InChIKeyRWRRZFUPYLXNNL-UHFFFAOYSA-N
XLogP3.37
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide
CID 20990028
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-pentylacetamide
CID 126258628
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 25467365
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3699992
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
5-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-2-(propylamino)benzoic acid
CID 99984969
4-[2-[(3-butoxy-4-methoxyphenyl)methyl-methylamino]ethyl]aniline
CID 20646928
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide (CID 22687456) is 4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide is CCCCCOc1cc(CCNS(=O)(=O)c2ccc(N)cc2)ccc1OC.
What is the InChIKey of 4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is RWRRZFUPYLXNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-3-4-5-14-26-20-15-16(6-11-19(20)25-2)12-13-22-27(23,24)18-9-7-17(21)8-10-18/h6-11,15,22H,3-5,12-14,21H2,1-2H3.
What are the key properties of 4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide?
4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 392.52 g/mol, XLogP of 3.37, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22687456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).