methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate

C14H19NO5S — CID 61383449

IUPACmethyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C14H19NO5S/c1-4-15(9-13(16)20-2)14(17)12-7-5-11(6-8-12)10-21(3,18)19/h5-8H,4,9-10H2,1-3H3
InChIKeyNZARCQQRDBLLRS-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.87
Rot. Bonds6

About methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate

methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate (PubChem CID 61383449) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate
PubChem CID61383449
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C14H19NO5S/c1-4-15(9-13(16)20-2)14(17)12-7-5-11(6-8-12)10-21(3,18)19/h5-8H,4,9-10H2,1-3H3
InChIKeyNZARCQQRDBLLRS-UHFFFAOYSA-N
XLogP0.87
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(methylsulfonylmethyl)benzamide
CID 28546925
methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate
CID 54979363
2-[[4-(methylsulfonylmethyl)benzoyl]-propylamino]acetic acid
CID 61012373
methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952978
ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate
CID 54900748
methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
CID 78781600
N'-[4-(diethylamino)benzoyl]-4-(methylsulfonylmethyl)benzohydrazide
CID 9155961
methyl 2-[benzyl-[4-(diethylcarbamoyl)phenyl]sulfonylamino]acetate
CID 47956024
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 47110132

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate (CID 61383449) is methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate is CCN(CC(=O)OC)C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate?
The InChIKey is NZARCQQRDBLLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-4-15(9-13(16)20-2)14(17)12-7-5-11(6-8-12)10-21(3,18)19/h5-8H,4,9-10H2,1-3H3.
What are the key properties of methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate?
methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate has a molecular weight of 313.38 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetate is sourced from PubChem (CID 61383449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).