methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate

C18H20N2O6S — CID 2205614

IUPACmethyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20N2O6S/c1-25-16-10-8-15(9-11-16)20(27(3,23)24)12-17(21)19-14-6-4-13(5-7-14)18(22)26-2/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyFIEVRSMUVJTDRX-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.89
Rot. Bonds7

About methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate

methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate (PubChem CID 2205614) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
PubChem CID2205614
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Namemethyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20N2O6S/c1-25-16-10-8-15(9-11-16)20(27(3,23)24)12-17(21)19-14-6-4-13(5-7-14)18(22)26-2/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyFIEVRSMUVJTDRX-UHFFFAOYSA-N
XLogP1.89
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate with MolForge

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Related Compounds

Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6457069
4-[[(4-Methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester
CID 970268
Methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 4378076
N-(3-methoxyphenyl)-1-(methylsulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 1085739
Methyl 4-{[(4-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}piperazin-1-yl)acetyl]amino}benzoate
CID 3236850
N,N-dimethylsulfamic acid [3-[(4-methoxyanilino)-oxomethyl]phenyl] ester
CID 4309985
4-Methanesulfonylamino-N-[4-(2-methoxy-phenyl)-piperazin-2-ylmethyl]-benzamide
CID 14998850
Ethyl 4-({[4-(sulfamoyloxy)phenyl]carbamoyl}amino)benzoate
CID 70692550
3-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-acetylamino}-benzoic acid ethyl ester
CID 651462
Methyl 4-[(3-methoxyphenyl)carbonylamino]benzoate
CID 743729
N-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-4-nitrobenzamide
CID 771988
4-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 973961

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate (CID 2205614) is methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate?
The InChIKey is FIEVRSMUVJTDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-25-16-10-8-15(9-11-16)20(27(3,23)24)12-17(21)19-14-6-4-13(5-7-14)18(22)26-2/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate?
methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate has a molecular weight of 392.43 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 2205614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).