2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide

C20H27N3O3S — CID 30242397

IUPAC2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-17-10-12-19(13-11-17)23(27(3,25)26)16-20(24)21-14-15-22(2)18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3,(H,21,24)
InChIKeyMNTBTQYGWDOFPR-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.27
Rot. Bonds9

About 2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide

2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide (PubChem CID 30242397) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
PubChem CID30242397
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
SMILESCCc1ccc(N(CC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-17-10-12-19(13-11-17)23(27(3,25)26)16-20(24)21-14-15-22(2)18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3,(H,21,24)
InChIKeyMNTBTQYGWDOFPR-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

2-(4-ethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 113154154
2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30219322
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242378
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30220843
3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113142775
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30242386
N-benzyl-3-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 113142800
2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154143
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30227920
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
The IUPAC name of 2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide (CID 30242397) is 2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide is CCc1ccc(N(CC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
The InChIKey is MNTBTQYGWDOFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-17-10-12-19(13-11-17)23(27(3,25)26)16-20(24)21-14-15-22(2)18-8-6-5-7-9-18/h5-13H,4,14-16H2,1-3H3,(H,21,24).
What are the key properties of 2-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide?
2-(4-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-(4-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide is sourced from PubChem (CID 30242397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).