4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide

C21H28N2O4S — CID 125042751

IUPAC4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
SMILESCCN(c1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1)S(=O)(=O)CC
InChIInChI=1S/C21H28N2O4S/c1-5-23(28(25,26)6-2)19-13-11-18(12-14-19)21(24)22-17(4)15-27-20-10-8-7-9-16(20)3/h7-14,17H,5-6,15H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKeyJSDDZZGLKUSCAG-QGZVFWFLSA-N
MW404.53 g/mol
LogP3.37
Rot. Bonds9

About 4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide

4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide (PubChem CID 125042751) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
PubChem CID125042751
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
SMILESCCN(c1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1)S(=O)(=O)CC
InChIInChI=1S/C21H28N2O4S/c1-5-23(28(25,26)6-2)19-13-11-18(12-14-19)21(24)22-17(4)15-27-20-10-8-7-9-16(20)3/h7-14,17H,5-6,15H2,1-4H3,(H,22,24)/t17-/m1/s1
InChIKeyJSDDZZGLKUSCAG-QGZVFWFLSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzenesulfonyl(ethyl)amino]-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 125043112
N,N-dimethyl-4-[[2-[1-(2-methylphenoxy)propan-2-ylamino]-2-oxoethyl]-methylsulfonylamino]benzamide
CID 43901345
2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30242468
2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895851
3-(dimethylsulfamoyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 94623465
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30220436
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 43895374
N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 132658891
N-[1-(2-methylphenoxy)propan-2-yl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 132673621
3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 50874611
2,4-dimethyl-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 133201539
4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100603395

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide?
The IUPAC name of 4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide (CID 125042751) is 4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide is CCN(c1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1)S(=O)(=O)CC.
What is the InChIKey of 4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide?
The InChIKey is JSDDZZGLKUSCAG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-23(28(25,26)6-2)19-13-11-18(12-14-19)21(24)22-17(4)15-27-20-10-8-7-9-16(20)3/h7-14,17H,5-6,15H2,1-4H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide?
4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 125042751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).