N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide

C20H22N4O2S — CID 31662428

IUPACN,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CSc2ncc3ccccn23)cc1
InChIInChI=1S/C20H22N4O2S/c1-3-23(4-2)19(26)15-8-10-16(11-9-15)22-18(25)14-27-20-21-13-17-7-5-6-12-24(17)20/h5-13H,3-4,14H2,1-2H3,(H,22,25)
InChIKeyMFNJVOHMHQEWEL-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.55
Rot. Bonds7

About N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide

N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide (PubChem CID 31662428) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide
PubChem CID31662428
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CSc2ncc3ccccn23)cc1
InChIInChI=1S/C20H22N4O2S/c1-3-23(4-2)19(26)15-8-10-16(11-9-15)22-18(25)14-27-20-21-13-17-7-5-6-12-24(17)20/h5-13H,3-4,14H2,1-2H3,(H,22,25)
InChIKeyMFNJVOHMHQEWEL-UHFFFAOYSA-N
XLogP3.55
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 7762487
N,N-diethyl-4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]benzamide
CID 7965030
N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 32508700
N,N-diethyl-4-[[2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 26899564
4-[[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide
CID 7817741
N-(4-bromo-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 17439635
N,N-diethyl-4-[[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 55320360
4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 8705826
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119948922
N,N-diethyl-4-[[2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 29458742
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide?
The IUPAC name of N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide (CID 31662428) is N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CSc2ncc3ccccn23)cc1.
What is the InChIKey of N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide?
The InChIKey is MFNJVOHMHQEWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-3-23(4-2)19(26)15-8-10-16(11-9-15)22-18(25)14-27-20-21-13-17-7-5-6-12-24(17)20/h5-13H,3-4,14H2,1-2H3,(H,22,25).
What are the key properties of N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide?
N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide has a molecular weight of 382.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 31662428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).