N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide

C16H27N3O3S — CID 113153413

IUPACN-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCCCCN(CC(=O)N(C)CCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C16H27N3O3S/c1-4-5-6-12-19(23(3,21)22)14-16(20)18(2)13-9-15-7-10-17-11-8-15/h7-8,10-11H,4-6,9,12-14H2,1-3H3
InChIKeyRCJSSCYZERAQAN-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.53
Rot. Bonds10

About N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide

N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 113153413) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID113153413
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCCCCN(CC(=O)N(C)CCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C16H27N3O3S/c1-4-5-6-12-19(23(3,21)22)14-16(20)18(2)13-9-15-7-10-17-11-8-15/h7-8,10-11H,4-6,9,12-14H2,1-3H3
InChIKeyRCJSSCYZERAQAN-UHFFFAOYSA-N
XLogP1.53
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113147692
N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026028
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154369
2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154839
3-[cyclopropyl(methylsulfonyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113136290
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 113139775
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113155558
N-butyl-N-methyl-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150779

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide (CID 113153413) is N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide is CCCCCN(CC(=O)N(C)CCc1ccncc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is RCJSSCYZERAQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-4-5-6-12-19(23(3,21)22)14-16(20)18(2)13-9-15-7-10-17-11-8-15/h7-8,10-11H,4-6,9,12-14H2,1-3H3.
What are the key properties of N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide?
N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 1.53, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 113153413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).