N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide

C17H18N4OS — CID 20890954

IUPACN-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc2ccncc2[nH]1
InChIInChI=1S/C17H18N4OS/c1-2-21(11-13-6-4-3-5-7-13)16(22)12-23-17-19-14-8-9-18-10-15(14)20-17/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyICAKYFXKMCAUOA-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.10
Rot. Bonds6

About N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide

N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide (PubChem CID 20890954) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
PubChem CID20890954
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nc2ccncc2[nH]1
InChIInChI=1S/C17H18N4OS/c1-2-21(11-13-6-4-3-5-7-13)16(22)12-23-17-19-14-8-9-18-10-15(14)20-17/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyICAKYFXKMCAUOA-UHFFFAOYSA-N
XLogP3.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18194956
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 84617366
N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266
N-(4-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide
CID 20890477
N-benzyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-ethylacetamide
CID 16533833
N-benzyl-N-ethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7169002
N-benzyl-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-ethylacetamide
CID 7810165
2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
CID 43249408
N-benzyl-N-ethyl-3-pyridin-3-ylbutanamide
CID 110648244
2-(1H-benzimidazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 1282459
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 4816437

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide (CID 20890954) is N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide is CCN(Cc1ccccc1)C(=O)CSc1nc2ccncc2[nH]1.
What is the InChIKey of N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is ICAKYFXKMCAUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-21(11-13-6-4-3-5-7-13)16(22)12-23-17-19-14-8-9-18-10-15(14)20-17/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide?
N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 326.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 20890954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).