N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide

C18H20N4OS — CID 6625456

IUPACN-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide
SMILESCCc1ccccc1NC(=O)C(CC)Sc1nc2ccncc2[nH]1
InChIInChI=1S/C18H20N4OS/c1-3-12-7-5-6-8-13(12)20-17(23)16(4-2)24-18-21-14-9-10-19-11-15(14)22-18/h5-11,16H,3-4H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyVCOACYWTQOQCDW-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.03
Rot. Bonds6

About N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide

N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide (PubChem CID 6625456) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide
PubChem CID6625456
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide
SMILESCCc1ccccc1NC(=O)C(CC)Sc1nc2ccncc2[nH]1
InChIInChI=1S/C18H20N4OS/c1-3-12-7-5-6-8-13(12)20-17(23)16(4-2)24-18-21-14-9-10-19-11-15(14)22-18/h5-11,16H,3-4H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyVCOACYWTQOQCDW-UHFFFAOYSA-N
XLogP4.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide
CID 20890966
(2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 92701625
2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-chloro-2-methylphenyl)butanamide
CID 23772194
N-(2-ethylphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanamide
CID 70963941
(2R)-N-(2-chlorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butanamide
CID 92742256
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)butanamide
CID 23942332
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1160471
N-isoquinolin-8-yl-2-phenylsulfanylbutanamide
CID 166234096
ethyl 4-[[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino]benzoate
CID 1260086
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide
CID 23830244
N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 24557244
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylbutanamide
CID 135715589

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide?
The IUPAC name of N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide (CID 6625456) is N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide is CCc1ccccc1NC(=O)C(CC)Sc1nc2ccncc2[nH]1.
What is the InChIKey of N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide?
The InChIKey is VCOACYWTQOQCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-3-12-7-5-6-8-13(12)20-17(23)16(4-2)24-18-21-14-9-10-19-11-15(14)22-18/h5-11,16H,3-4H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide?
N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide has a molecular weight of 340.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide is sourced from PubChem (CID 6625456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).