N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide

C20H26N2O3S — CID 44581169

IUPACN,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C20H26N2O3S/c1-5-21(6-2)20(23)15-22(18-13-11-16(3)12-14-18)26(24,25)19-10-8-7-9-17(19)4/h7-14H,5-6,15H2,1-4H3
InChIKeyDGFZLVPWGWQYLN-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.37
Rot. Bonds7

About N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide

N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide (PubChem CID 44581169) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide
PubChem CID44581169
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide
SMILESCCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1C
InChIInChI=1S/C20H26N2O3S/c1-5-21(6-2)20(23)15-22(18-13-11-16(3)12-14-18)26(24,25)19-10-8-7-9-17(19)4/h7-14H,5-6,15H2,1-4H3
InChIKeyDGFZLVPWGWQYLN-UHFFFAOYSA-N
XLogP3.37
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-Acetylpiperazin-1-Yl)-2-Fluorobenzyl]-N-Cyclobutylbenzenesulfonamide
CID 86346644
N-[4-(4-Acetylpiperazin-1-Yl)benzyl]-N-(2-Methylpropyl)-1-Phenylmethanesulfonamide
CID 86346645
2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 999998
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 989253
N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-(4-methylphenyl)methanesulfonamide
CID 1000778
N-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-isopropyl-phenyl)-methanesulfonamide
CID 1135728
N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738589
5-fluoro-2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738594

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide (CID 44581169) is N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide is CCN(CC)C(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1C.
What is the InChIKey of N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is DGFZLVPWGWQYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-21(6-2)20(23)15-22(18-13-11-16(3)12-14-18)26(24,25)19-10-8-7-9-17(19)4/h7-14H,5-6,15H2,1-4H3.
What are the key properties of N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide?
N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 44581169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).