N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide

C16H20N2O3S — CID 75386776

IUPACN-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(N)c2ccccc2)c(C)c1
InChIInChI=1S/C16H20N2O3S/c1-12-10-14(21-2)8-9-16(12)22(19,20)18-11-15(17)13-6-4-3-5-7-13/h3-10,15,18H,11,17H2,1-2H3
InChIKeyOAXWQTDWLCBVKW-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.98
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide

N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 75386776) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
PubChem CID75386776
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(N)c2ccccc2)c(C)c1
InChIInChI=1S/C16H20N2O3S/c1-12-10-14(21-2)8-9-16(12)22(19,20)18-11-15(17)13-6-4-3-5-7-13/h3-10,15,18H,11,17H2,1-2H3
InChIKeyOAXWQTDWLCBVKW-UHFFFAOYSA-N
XLogP1.98
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminooxypropyl)-4-methoxy-2-methylbenzenesulfonamide
CID 112501874
N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 131702587
N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119976287
N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 99872864
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 55871022
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-(2-amino-2-phenylethyl)-4,5-dimethyl-2-nitrobenzenesulfonamide
CID 119976158
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 110663391
N-(2-amino-2-phenylethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120709313
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 90490899
N-(2-amino-2-phenylethyl)-4-methyl-2-nitrobenzenesulfonamide
CID 84591511
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide (CID 75386776) is N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(N)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is OAXWQTDWLCBVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-10-14(21-2)8-9-16(12)22(19,20)18-11-15(17)13-6-4-3-5-7-13/h3-10,15,18H,11,17H2,1-2H3.
What are the key properties of N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide?
N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 75386776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).