N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide

C16H26N2O4S — CID 113054971

IUPACN-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCCCS(=O)(=O)NCCN(Cc1ccccc1OC)C(C)=O
InChIInChI=1S/C16H26N2O4S/c1-4-5-12-23(20,21)17-10-11-18(14(2)19)13-15-8-6-7-9-16(15)22-3/h6-9,17H,4-5,10-13H2,1-3H3
InChIKeyYIVLZCFBELCFNL-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.76
Rot. Bonds10

About N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide

N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 113054971) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID113054971
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCCCS(=O)(=O)NCCN(Cc1ccccc1OC)C(C)=O
InChIInChI=1S/C16H26N2O4S/c1-4-5-12-23(20,21)17-10-11-18(14(2)19)13-15-8-6-7-9-16(15)22-3/h6-9,17H,4-5,10-13H2,1-3H3
InChIKeyYIVLZCFBELCFNL-UHFFFAOYSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054972
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054992
N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105
N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 113061347
N-benzyl-N-[2-(3-phenylpropylsulfonylamino)ethyl]acetamide
CID 113054093
2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992739
N-[2-(dimethylsulfamoylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113055867
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
N-[2-(butylsulfonylamino)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056291
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
CID 113055809

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 113054971) is N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide is CCCCS(=O)(=O)NCCN(Cc1ccccc1OC)C(C)=O.
What is the InChIKey of N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is YIVLZCFBELCFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-4-5-12-23(20,21)17-10-11-18(14(2)19)13-15-8-6-7-9-16(15)22-3/h6-9,17H,4-5,10-13H2,1-3H3.
What are the key properties of N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide?
N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 342.46 g/mol, XLogP of 1.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113054971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).