4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide

C22H30N2O4S — CID 100603395

IUPAC4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H30N2O4S/c1-6-20(18-11-14-21(28-5)16(4)15-18)23-22(25)17-9-12-19(13-10-17)24(7-2)29(26,27)8-3/h9-15,20H,6-8H2,1-5H3,(H,23,25)/t20-/m1/s1
InChIKeyTWSOXSBEJKRICW-HXUWFJFHSA-N
MW418.56 g/mol
LogP4.06
Rot. Bonds9

About 4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide

4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide (PubChem CID 100603395) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
PubChem CID100603395
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H30N2O4S/c1-6-20(18-11-14-21(28-5)16(4)15-18)23-22(25)17-9-12-19(13-10-17)24(7-2)29(26,27)8-3/h9-15,20H,6-8H2,1-5H3,(H,23,25)/t20-/m1/s1
InChIKeyTWSOXSBEJKRICW-HXUWFJFHSA-N
XLogP4.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide
CID 132658898
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133167206
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100667074
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-propoxybenzamide
CID 133160886
N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 132658891
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100683262
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 100615499
2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100581063
N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680604

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The IUPAC name of 4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide (CID 100603395) is 4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide is CC[C@@H](NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The InChIKey is TWSOXSBEJKRICW-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-6-20(18-11-14-21(28-5)16(4)15-18)23-22(25)17-9-12-19(13-10-17)24(7-2)29(26,27)8-3/h9-15,20H,6-8H2,1-5H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide has a molecular weight of 418.56 g/mol, XLogP of 4.06, 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-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 100603395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).