1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide

C18H24N2O4S — CID 70852168

IUPAC1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C(C)N)cc1
InChIInChI=1S/C18H24N2O4S/c1-14(19)25(21,22)20(12-15-4-8-17(23-2)9-5-15)13-16-6-10-18(24-3)11-7-16/h4-11,14H,12-13,19H2,1-3H3
InChIKeyAWKFNBOYOORDPG-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.34
Rot. Bonds8

About 1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide

1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide (PubChem CID 70852168) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
PubChem CID70852168
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C(C)N)cc1
InChIInChI=1S/C18H24N2O4S/c1-14(19)25(21,22)20(12-15-4-8-17(23-2)9-5-15)13-16-6-10-18(24-3)11-7-16/h4-11,14H,12-13,19H2,1-3H3
InChIKeyAWKFNBOYOORDPG-UHFFFAOYSA-N
XLogP2.34
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
CID 118903716
methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate
CID 145359334
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-5-oxopentane-2-sulfonamide
CID 170936388
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-oxobutane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-oxobutane-2-sulfonamide
CID 158198081
(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118910363
N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide
CID 122701248
[(3R)-3-[(2S)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]propyl]cyclobuten-1-yl] trifluoromethanesulfonate
CID 162473334
[(3R)-3-[(2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]propyl]cyclobuten-1-yl] trifluoromethanesulfonate
CID 162473292
(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
CID 122701180
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 134542446

Frequently Asked Questions

What is the IUPAC name of 1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide?
The IUPAC name of 1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide (CID 70852168) is 1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide?
The canonical SMILES for 1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)C(C)N)cc1.
What is the InChIKey of 1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide?
The InChIKey is AWKFNBOYOORDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-14(19)25(21,22)20(12-15-4-8-17(23-2)9-5-15)13-16-6-10-18(24-3)11-7-16/h4-11,14H,12-13,19H2,1-3H3.
What are the key properties of 1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide?
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 70852168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).