ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate

C19H22N2O5S — CID 133164044

IUPACethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C19H22N2O5S/c1-4-26-19(23)15-12-8-9-13-16(15)20-18(22)17(21(2)27(3,24)25)14-10-6-5-7-11-14/h5-13,17H,4H2,1-3H3,(H,20,22)
InChIKeyFQHKJHRIEMXLFS-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.43
Rot. Bonds7

About ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate

ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate (PubChem CID 133164044) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate
PubChem CID133164044
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Nameethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C19H22N2O5S/c1-4-26-19(23)15-12-8-9-13-16(15)20-18(22)17(21(2)27(3,24)25)14-10-6-5-7-11-14/h5-13,17H,4H2,1-3H3,(H,20,22)
InChIKeyFQHKJHRIEMXLFS-UHFFFAOYSA-N
XLogP2.43
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
CID 133161127
N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
CID 133210259
2-[[(2S)-2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-N-(2-phenylethyl)benzamide
CID 125054943
ethyl 2-[[2-(dimethylamino)-2-pyridin-3-ylacetyl]amino]benzoate
CID 110754063
ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate
CID 110356214
ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 133200400
N-(3-ethoxyphenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184977
ethyl 2-[[2-[acetyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 113158287
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]amino]benzoate
CID 79012215
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
ethyl 2-[[(2S)-2-(4-methoxy-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 1004380
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)-2-phenylacetamide
CID 133251735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate (CID 133164044) is ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C(c1ccccc1)N(C)S(C)(=O)=O.
What is the InChIKey of ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate?
The InChIKey is FQHKJHRIEMXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-26-19(23)15-12-8-9-13-16(15)20-18(22)17(21(2)27(3,24)25)14-10-6-5-7-11-14/h5-13,17H,4H2,1-3H3,(H,20,22).
What are the key properties of ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate?
ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzoate is sourced from PubChem (CID 133164044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).