N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide

C16H26N2O4S — CID 113148476

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
SMILESCOc1cccc(CCNC(=O)CN(CC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C16H26N2O4S/c1-13(2)11-18(23(4,20)21)12-16(19)17-9-8-14-6-5-7-15(10-14)22-3/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,17,19)
InChIKeyNBDZWUZXCRAOPS-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.27
Rot. Bonds9

About N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide

N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide (PubChem CID 113148476) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
PubChem CID113148476
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
SMILESCOc1cccc(CCNC(=O)CN(CC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C16H26N2O4S/c1-13(2)11-18(23(4,20)21)12-16(19)17-9-8-14-6-5-7-15(10-14)22-3/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,17,19)
InChIKeyNBDZWUZXCRAOPS-UHFFFAOYSA-N
XLogP1.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113152184
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113153832
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139911
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-(3-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
CID 113155171
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472
2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158342

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide (CID 113148476) is N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide is COc1cccc(CCNC(=O)CN(CC(C)C)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
The InChIKey is NBDZWUZXCRAOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-13(2)11-18(23(4,20)21)12-16(19)17-9-8-14-6-5-7-15(10-14)22-3/h5-7,10,13H,8-9,11-12H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide?
N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide has a molecular weight of 342.46 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113148476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).