2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide

C16H26N2O6S — CID 113148409

IUPAC2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O6S/c1-6-7-8-18(25(5,20)21)11-15(19)17-12-9-13(22-2)16(24-4)14(10-12)23-3/h9-10H,6-8,11H2,1-5H3,(H,17,19)
InChIKeyJLPGJTFMFSFDKP-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.71
Rot. Bonds10

About 2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 113148409) has the molecular formula C16H26N2O6S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID113148409
Molecular FormulaC16H26N2O6S
Molecular Weight374.46 g/mol
Exact Mass374.15
IUPAC Name2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O6S/c1-6-7-8-18(25(5,20)21)11-15(19)17-12-9-13(22-2)16(24-4)14(10-12)23-3/h9-10H,6-8,11H2,1-5H3,(H,17,19)
InChIKeyJLPGJTFMFSFDKP-UHFFFAOYSA-N
XLogP1.71
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113149929
2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113148373
N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153482
2-[ethyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 31993751
2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide
CID 113148397
N-(3,5-dimethylphenyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149503
2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000933
3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109012524
N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147585
2-[acetyl(2-methoxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113159965
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113160557
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 113148409) is 2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide is CCCCN(CC(=O)Nc1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O.
What is the InChIKey of 2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is JLPGJTFMFSFDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6S/c1-6-7-8-18(25(5,20)21)11-15(19)17-12-9-13(22-2)16(24-4)14(10-12)23-3/h9-10H,6-8,11H2,1-5H3,(H,17,19).
What are the key properties of 2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 374.46 g/mol, XLogP of 1.71, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methylsulfonyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 113148409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).