N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide

C16H19N3O2S — CID 113055189

IUPACN-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1cccs1)Cc1ccccn1
InChIInChI=1S/C16H19N3O2S/c1-13(20)19(12-14-5-2-3-7-17-14)9-8-18-16(21)11-15-6-4-10-22-15/h2-7,10H,8-9,11-12H2,1H3,(H,18,21)
InChIKeyCVBNMAXHYPPYQK-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.85
Rot. Bonds7

About N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide

N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 113055189) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide
PubChem CID113055189
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1cccs1)Cc1ccccn1
InChIInChI=1S/C16H19N3O2S/c1-13(20)19(12-14-5-2-3-7-17-14)9-8-18-16(21)11-15-6-4-10-22-15/h2-7,10H,8-9,11-12H2,1H3,(H,18,21)
InChIKeyCVBNMAXHYPPYQK-UHFFFAOYSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-pyridin-2-ylpropyl)-2-thiophen-2-ylacetamide
CID 110660977
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113055213
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113055158
tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
CID 113055221
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113055209
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide
CID 113055172
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide
CID 46961978
1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 121084597
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide (CID 113055189) is N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide is CC(=O)N(CCNC(=O)Cc1cccs1)Cc1ccccn1.
What is the InChIKey of N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is CVBNMAXHYPPYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-13(20)19(12-14-5-2-3-7-17-14)9-8-18-16(21)11-15-6-4-10-22-15/h2-7,10H,8-9,11-12H2,1H3,(H,18,21).
What are the key properties of N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 317.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113055189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).