N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide

C22H24N2O4S — CID 122362570

IUPACN-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H24N2O4S/c1-27-18-13-14-20(19(15-18)28-2)29(25,26)24-22(17-11-7-4-8-12-17)21(23)16-9-5-3-6-10-16/h3-15,21-22,24H,23H2,1-2H3
InChIKeyDJVGCYOUWVNJIL-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.42
Rot. Bonds8

About N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide

N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 122362570) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID122362570
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H24N2O4S/c1-27-18-13-14-20(19(15-18)28-2)29(25,26)24-22(17-11-7-4-8-12-17)21(23)16-9-5-3-6-10-16/h3-15,21-22,24H,23H2,1-2H3
InChIKeyDJVGCYOUWVNJIL-UHFFFAOYSA-N
XLogP3.42
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 2-[[(1S,2S)-2-amino-1,2-diphenylethyl]sulfamoyl]benzenesulfonate
CID 58915463
N-(2-amino-1,2-diphenylethyl)-1-(3-methoxyphenyl)methanesulfonamide
CID 59537325
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738229
1-N,3-N-bis[(1R,2R)-2-amino-1,2-diphenylethyl]benzene-1,3-disulfonamide
CID 122371745
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
CID 87738093
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738343
N-[(1R,2R)-2-amino-1,2-diphenylethyl]-2,4,6-trimethylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738686
N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide
CID 23020097
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 40790424
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide (CID 122362570) is N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(c2ccccc2)C(N)c2ccccc2)c(OC)c1.
What is the InChIKey of N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is DJVGCYOUWVNJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-27-18-13-14-20(19(15-18)28-2)29(25,26)24-22(17-11-7-4-8-12-17)21(23)16-9-5-3-6-10-16/h3-15,21-22,24H,23H2,1-2H3.
What are the key properties of N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide?
N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 412.51 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 122362570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).