2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide

C21H26N2O5S — CID 55551379

IUPAC2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H26N2O5S/c1-5-28-19-9-7-6-8-18(19)21(25)22-14-20(24)23(3)15(2)16-10-12-17(13-11-16)29(4,26)27/h6-13,15H,5,14H2,1-4H3,(H,22,25)
InChIKeyZNEOWJMOYNJOHS-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.44
Rot. Bonds8

About 2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide (PubChem CID 55551379) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide
PubChem CID55551379
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H26N2O5S/c1-5-28-19-9-7-6-8-18(19)21(25)22-14-20(24)23(3)15(2)16-10-12-17(13-11-16)29(4,26)27/h6-13,15H,5,14H2,1-4H3,(H,22,25)
InChIKeyZNEOWJMOYNJOHS-UHFFFAOYSA-N
XLogP2.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 120524322
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 120518304
2-(2-methoxyethylamino)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
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2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
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N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2-ethoxybenzamide
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N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 46654191
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 115795717
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-ethoxy-N-[4-[methyl-[1-(3-nitrophenyl)ethyl]amino]-4-oxobutyl]benzamide
CID 46449764
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
3-benzyl-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 134040552

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide (CID 55551379) is 2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is ZNEOWJMOYNJOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-5-28-19-9-7-6-8-18(19)21(25)22-14-20(24)23(3)15(2)16-10-12-17(13-11-16)29(4,26)27/h6-13,15H,5,14H2,1-4H3,(H,22,25).
What are the key properties of 2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55551379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).