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

C14H22N2O4S — CID 112992739

IUPAC2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCCCS(=O)(=O)NCC(=O)NCc1ccccc1OC
InChIInChI=1S/C14H22N2O4S/c1-3-4-9-21(18,19)16-11-14(17)15-10-12-7-5-6-8-13(12)20-2/h5-8,16H,3-4,9-11H2,1-2H3,(H,15,17)
InChIKeyZIEVMSSYPHVSFH-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.03
Rot. Bonds9

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

2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 112992739) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID112992739
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCCCS(=O)(=O)NCC(=O)NCc1ccccc1OC
InChIInChI=1S/C14H22N2O4S/c1-3-4-9-21(18,19)16-11-14(17)15-10-12-7-5-6-8-13(12)20-2/h5-8,16H,3-4,9-11H2,1-2H3,(H,15,17)
InChIKeyZIEVMSSYPHVSFH-UHFFFAOYSA-N
XLogP1.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethoxyphenyl)methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 22300640
3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113136668
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992756
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992730
3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021987
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
2-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78907392
N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054971
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide
CID 112994808
2-[(2-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 108996645
1-hexyl-3-[(2-methoxyphenyl)methyl]urea
CID 30694177

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide (CID 112992739) is 2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide is CCCCS(=O)(=O)NCC(=O)NCc1ccccc1OC.
What is the InChIKey of 2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is ZIEVMSSYPHVSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-4-9-21(18,19)16-11-14(17)15-10-12-7-5-6-8-13(12)20-2/h5-8,16H,3-4,9-11H2,1-2H3,(H,15,17).
What are the key properties of 2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 112992739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).