2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide

C20H27N3O3S — CID 30219322

IUPAC2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H27N3O3S/c1-4-17-10-8-9-13-19(17)23(27(3,25)26)16-20(24)21-14-15-22(2)18-11-6-5-7-12-18/h5-13H,4,14-16H2,1-3H3,(H,21,24)
InChIKeyHXQSJZCOYWVKQZ-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.27
Rot. Bonds9

About 2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide

2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide (PubChem CID 30219322) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
PubChem CID30219322
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCCc1ccccc1N(CC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H27N3O3S/c1-4-17-10-8-9-13-19(17)23(27(3,25)26)16-20(24)21-14-15-22(2)18-11-6-5-7-12-18/h5-13H,4,14-16H2,1-3H3,(H,21,24)
InChIKeyHXQSJZCOYWVKQZ-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607
2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30242397
N-butyl-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 27255894
2-(2-ethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51342626
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30220843
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113069155
2-(2-ethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide
CID 30219336
2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
CID 113069165
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide
CID 100771196
2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30219314
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210908
N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30271957

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
The IUPAC name of 2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide (CID 30219322) is 2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide is CCc1ccccc1N(CC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
The InChIKey is HXQSJZCOYWVKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-17-10-8-9-13-19(17)23(27(3,25)26)16-20(24)21-14-15-22(2)18-11-6-5-7-12-18/h5-13H,4,14-16H2,1-3H3,(H,21,24).
What are the key properties of 2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide is sourced from PubChem (CID 30219322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).