N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

C17H21N3OS — CID 119438197

IUPACN-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCCNCc1cccc(NC(=O)CSCc2ccccn2)c1
InChIInChI=1S/C17H21N3OS/c1-2-18-11-14-6-5-8-15(10-14)20-17(21)13-22-12-16-7-3-4-9-19-16/h3-10,18H,2,11-13H2,1H3,(H,20,21)
InChIKeyHKUPVURPTHBDLU-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.06
Rot. Bonds8

About N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 119438197) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID119438197
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCCNCc1cccc(NC(=O)CSCc2ccccn2)c1
InChIInChI=1S/C17H21N3OS/c1-2-18-11-14-6-5-8-15(10-14)20-17(21)13-22-12-16-7-3-4-9-19-16/h3-10,18H,2,11-13H2,1H3,(H,20,21)
InChIKeyHKUPVURPTHBDLU-UHFFFAOYSA-N
XLogP3.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanylacetamide
CID 119438522
N-[3-[[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 55948883
2-methoxy-N-[3-[(pyridin-2-ylmethylamino)methyl]phenyl]acetamide
CID 47025423
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55825043
N-[3-(ethylaminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide
CID 60924164
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 86841993
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119438454
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55966889
N-(4-chloro-3-methylphenyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
CID 161086705

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 119438197) is N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is CCNCc1cccc(NC(=O)CSCc2ccccn2)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is HKUPVURPTHBDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-18-11-14-6-5-8-15(10-14)20-17(21)13-22-12-16-7-3-4-9-19-16/h3-10,18H,2,11-13H2,1H3,(H,20,21).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 119438197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).