N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide

C18H24N2O4S — CID 54774549

IUPACN-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CN(C)C)c2ccccc2)cc1OC
InChIInChI=1S/C18H24N2O4S/c1-20(2)13-16(14-8-6-5-7-9-14)19-25(21,22)15-10-11-17(23-3)18(12-15)24-4/h5-12,16,19H,13H2,1-4H3
InChIKeyRDTLOTRFLAUBAW-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.29
Rot. Bonds8

About N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide

N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 54774549) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID54774549
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(CN(C)C)c2ccccc2)cc1OC
InChIInChI=1S/C18H24N2O4S/c1-20(2)13-16(14-8-6-5-7-9-14)19-25(21,22)15-10-11-17(23-3)18(12-15)24-4/h5-12,16,19H,13H2,1-4H3
InChIKeyRDTLOTRFLAUBAW-UHFFFAOYSA-N
XLogP2.29
TPSA67.87 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
N-[2-(dimethylamino)-1-phenylethyl]-4-methoxybenzenesulfonamide
CID 54774542
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3721813
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279
N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 6734824
3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide
CID 87024649
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 124548042
3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 110322110
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-[(1S)-2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-phenoxybenzenesulfonamide
CID 164862066
N-[(1S)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-phenoxybenzenesulfonamide
CID 164861909

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide (CID 54774549) is N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(CN(C)C)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is RDTLOTRFLAUBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-20(2)13-16(14-8-6-5-7-9-14)19-25(21,22)15-10-11-17(23-3)18(12-15)24-4/h5-12,16,19H,13H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide?
N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 54774549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).