N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide

C21H28N2O3S — CID 132658891

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
SMILESCCN(c1ccc(C(=O)NC(C)c2ccc(C)c(C)c2)cc1)S(=O)(=O)CC
InChIInChI=1S/C21H28N2O3S/c1-6-23(27(25,26)7-2)20-12-10-18(11-13-20)21(24)22-17(5)19-9-8-15(3)16(4)14-19/h8-14,17H,6-7H2,1-5H3,(H,22,24)
InChIKeyHAYIFGKKILQMSK-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.97
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide

N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide (PubChem CID 132658891) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
PubChem CID132658891
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
SMILESCCN(c1ccc(C(=O)NC(C)c2ccc(C)c(C)c2)cc1)S(=O)(=O)CC
InChIInChI=1S/C21H28N2O3S/c1-6-23(27(25,26)7-2)20-12-10-18(11-13-20)21(24)22-17(5)19-9-8-15(3)16(4)14-19/h8-14,17H,6-7H2,1-5H3,(H,22,24)
InChIKeyHAYIFGKKILQMSK-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 125042955
4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100603395
N-[1-(3,4-dimethylphenyl)propyl]-4-[ethyl(methylsulfonyl)amino]benzamide
CID 132658898
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100765407
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100567468
4-[ethyl(ethylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 125042751
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 132665579
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-phenylethyl)benzamide
CID 2884769
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897371
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 53280421
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 92675362
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide (CID 132658891) is N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide is CCN(c1ccc(C(=O)NC(C)c2ccc(C)c(C)c2)cc1)S(=O)(=O)CC.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide?
The InChIKey is HAYIFGKKILQMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-6-23(27(25,26)7-2)20-12-10-18(11-13-20)21(24)22-17(5)19-9-8-15(3)16(4)14-19/h8-14,17H,6-7H2,1-5H3,(H,22,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide?
N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-4-[ethyl(ethylsulfonyl)amino]benzamide is sourced from PubChem (CID 132658891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).