N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide

C16H26N2O5S — CID 113061347

IUPACN-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCCCCS(=O)(=O)NCCN(C(C)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O5S/c1-5-6-11-24(20,21)17-9-10-18(13(2)19)14-7-8-15(22-3)16(12-14)23-4/h7-8,12,17H,5-6,9-11H2,1-4H3
InChIKeyBELQHMYKINJRNE-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.78
Rot. Bonds10

About N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide

N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 113061347) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID113061347
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC NameN-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCCCCS(=O)(=O)NCCN(C(C)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O5S/c1-5-6-11-24(20,21)17-9-10-18(13(2)19)14-7-8-15(22-3)16(12-14)23-4/h7-8,12,17H,5-6,9-11H2,1-4H3
InChIKeyBELQHMYKINJRNE-UHFFFAOYSA-N
XLogP1.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113060257
N-(3,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061350
N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062931
N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113063583
N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113061353
N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054971
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062819
N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 28769902
tert-butyl N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]carbamate
CID 113061339
N-(4-methoxyphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113060725
3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
CID 113130237

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide (CID 113061347) is N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide is CCCCS(=O)(=O)NCCN(C(C)=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is BELQHMYKINJRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-5-6-11-24(20,21)17-9-10-18(13(2)19)14-7-8-15(22-3)16(12-14)23-4/h7-8,12,17H,5-6,9-11H2,1-4H3.
What are the key properties of N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide?
N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 358.46 g/mol, XLogP of 1.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113061347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).