N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C20H27N3O3S — CID 113154369

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)N(C)CCc2ccncc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C20H27N3O3S/c1-15-12-16(2)20(17(3)13-15)23(27(5,25)26)14-19(24)22(4)11-8-18-6-9-21-10-7-18/h6-7,9-10,12-13H,8,11,14H2,1-5H3
InChIKeyMSUZIRRDRSXFMM-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.47
Rot. Bonds7

About N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 113154369) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID113154369
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1cc(C)c(N(CC(=O)N(C)CCc2ccncc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C20H27N3O3S/c1-15-12-16(2)20(17(3)13-15)23(27(5,25)26)14-19(24)22(4)11-8-18-6-9-21-10-7-18/h6-7,9-10,12-13H,8,11,14H2,1-5H3
InChIKeyMSUZIRRDRSXFMM-UHFFFAOYSA-N
XLogP2.47
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154839
2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113155558
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154877
N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113147692
N,N-dimethyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30256486
N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113153413
3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113136290
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
3-(4-cyano-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113146975
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110436877
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 113154369) is N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is Cc1cc(C)c(N(CC(=O)N(C)CCc2ccncc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is MSUZIRRDRSXFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15-12-16(2)20(17(3)13-15)23(27(5,25)26)14-19(24)22(4)11-8-18-6-9-21-10-7-18/h6-7,9-10,12-13H,8,11,14H2,1-5H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 389.52 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113154369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).