ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate

C18H19NO6S — CID 110428318

IUPACethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C18H19NO6S/c1-4-25-18(21)13-7-5-6-8-14(13)19-17(20)12-9-10-15(24-2)16(11-12)26(3,22)23/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeySVCCFLNMYYZXRG-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.53
Rot. Bonds6

About ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate

ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate (PubChem CID 110428318) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate
PubChem CID110428318
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Nameethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C18H19NO6S/c1-4-25-18(21)13-7-5-6-8-14(13)19-17(20)12-9-10-15(24-2)16(11-12)26(3,22)23/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeySVCCFLNMYYZXRG-UHFFFAOYSA-N
XLogP2.53
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 110428281
ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 95969690
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682
ethyl 2-[[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate
CID 99968645
ethyl 2-(2,3-dihydro-1H-indene-5-carbonylamino)benzoate
CID 17492553
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36862429
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate (CID 110428318) is ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(OC)c(S(C)(=O)=O)c1.
What is the InChIKey of ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate?
The InChIKey is SVCCFLNMYYZXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-4-25-18(21)13-7-5-6-8-14(13)19-17(20)12-9-10-15(24-2)16(11-12)26(3,22)23/h5-11H,4H2,1-3H3,(H,19,20).
What are the key properties of ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate?
ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate has a molecular weight of 377.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxy-3-methylsulfonylbenzoyl)amino]benzoate is sourced from PubChem (CID 110428318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).