N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide

C20H26N2O4S — CID 90558062

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCC(c1ccc2c(c1)CCO2)N(C)C
InChIInChI=1S/C20H26N2O4S/c1-4-25-19-7-5-6-8-20(19)27(23,24)21-14-17(22(2)3)15-9-10-18-16(13-15)11-12-26-18/h5-10,13,17,21H,4,11-12,14H2,1-3H3
InChIKeyABKMOFYVKIUZRR-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.60
Rot. Bonds8

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide (PubChem CID 90558062) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
PubChem CID90558062
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCC(c1ccc2c(c1)CCO2)N(C)C
InChIInChI=1S/C20H26N2O4S/c1-4-25-19-7-5-6-8-20(19)27(23,24)21-14-17(22(2)3)15-9-10-18-16(13-15)11-12-26-18/h5-10,13,17,21H,4,11-12,14H2,1-3H3
InChIKeyABKMOFYVKIUZRR-UHFFFAOYSA-N
XLogP2.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 90558084
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 90558086
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-methoxybenzenesulfonamide
CID 90558041
5-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 90558055
5-bromo-N-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 97104867
5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61097281
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol
CID 61100079
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71798200
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169698
N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine
CID 116906138
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 90557996
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-dimethoxybenzamide
CID 90557940

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide (CID 90558062) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide is CCOc1ccccc1S(=O)(=O)NCC(c1ccc2c(c1)CCO2)N(C)C.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide?
The InChIKey is ABKMOFYVKIUZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-25-19-7-5-6-8-20(19)27(23,24)21-14-17(22(2)3)15-9-10-18-16(13-15)11-12-26-18/h5-10,13,17,21H,4,11-12,14H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 90558062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).