N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide

C17H20N2OS — CID 134007805

IUPACN-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1ccc(C)cn1
InChIInChI=1S/C17H20N2OS/c1-3-19(12-15-7-5-4-6-8-15)17(20)13-21-16-10-9-14(2)11-18-16/h4-11H,3,12-13H2,1-2H3
InChIKeyOECBXACXINCMKD-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.53
Rot. Bonds6

About N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide

N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide (PubChem CID 134007805) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
PubChem CID134007805
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1ccc(C)cn1
InChIInChI=1S/C17H20N2OS/c1-3-19(12-15-7-5-4-6-8-15)17(20)13-21-16-10-9-14(2)11-18-16/h4-11H,3,12-13H2,1-2H3
InChIKeyOECBXACXINCMKD-UHFFFAOYSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 112815720
N-benzyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-ethylacetamide
CID 16533833
N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide
CID 7810165
N-benzyl-N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 18141119
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 2361989
N-benzyl-N-ethyl-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8874060
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134007796
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-ethylacetamide
CID 60732754
2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
CID 43249408
N-benzyl-2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide
CID 110278136

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide (CID 134007805) is N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide is CCN(Cc1ccccc1)C(=O)CSc1ccc(C)cn1.
What is the InChIKey of N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is OECBXACXINCMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-3-19(12-15-7-5-4-6-8-15)17(20)13-21-16-10-9-14(2)11-18-16/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide?
N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 300.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 134007805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).