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

C12H18N2O4S — CID 47121758

IUPAC2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C12H18N2O4S/c1-4-14(19(3,16)17)9-12(15)13-10-6-5-7-11(8-10)18-2/h5-8H,4,9H2,1-3H3,(H,13,15)
InChIKeyTYTRPWUFLABGKU-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.92
Rot. Bonds6

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

2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 47121758) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
PubChem CID47121758
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)S(C)(=O)=O
InChIInChI=1S/C12H18N2O4S/c1-4-14(19(3,16)17)9-12(15)13-10-6-5-7-11(8-10)18-2/h5-8H,4,9H2,1-3H3,(H,13,15)
InChIKeyTYTRPWUFLABGKU-UHFFFAOYSA-N
XLogP0.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113149351
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151319
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 2572082
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
2-(N-ethylanilino)-N-(3-methoxyphenyl)acetamide
CID 51159812
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1100140
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide (CID 47121758) is 2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)S(C)(=O)=O.
What is the InChIKey of 2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is TYTRPWUFLABGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-4-14(19(3,16)17)9-12(15)13-10-6-5-7-11(8-10)18-2/h5-8H,4,9H2,1-3H3,(H,13,15).
What are the key properties of 2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide?
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 286.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 47121758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).