2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide

C19H23N3O5S — CID 55959821

IUPAC2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C19H23N3O5S/c1-3-27-17-8-6-5-7-16(17)19(24)20-13-18(23)21-14-9-11-15(12-10-14)22-28(25,26)4-2/h5-12,22H,3-4,13H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyYPLABDRFBCPXOJ-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.22
Rot. Bonds9

About 2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide (PubChem CID 55959821) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
PubChem CID55959821
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)Nc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C19H23N3O5S/c1-3-27-17-8-6-5-7-16(17)19(24)20-13-18(23)21-14-9-11-15(12-10-14)22-28(25,26)4-2/h5-12,22H,3-4,13H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyYPLABDRFBCPXOJ-UHFFFAOYSA-N
XLogP2.22
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071303
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2-ethoxybenzamide
CID 9165970
2-ethoxy-N-[2-[4-(furan-2-ylmethylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 2534066
2-ethoxy-N-[4-(propanoylamino)phenyl]benzamide
CID 17204882
2-ethoxy-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 46510511
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
N-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-ethoxybenzamide
CID 2566216
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
2,4-dichloro-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide
CID 55959694
ethyl N-[4-[(2-ethoxybenzoyl)amino]phenyl]carbamate
CID 110178230

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide (CID 55959821) is 2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(NS(=O)(=O)CC)cc1.
What is the InChIKey of 2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide?
The InChIKey is YPLABDRFBCPXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-3-27-17-8-6-5-7-16(17)19(24)20-13-18(23)21-14-9-11-15(12-10-14)22-28(25,26)4-2/h5-12,22H,3-4,13H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide has a molecular weight of 405.48 g/mol, XLogP of 2.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55959821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).