N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide

C19H21N3O2S — CID 46674723

IUPACN-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)C(C)Sc1nc2ccccc2n1C
InChIInChI=1S/C19H21N3O2S/c1-4-24-17-12-8-6-10-15(17)20-18(23)13(2)25-19-21-14-9-5-7-11-16(14)22(19)3/h5-13H,4H2,1-3H3,(H,20,23)
InChIKeyBDYPCNGQJQBQNX-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.09
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide

N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide (PubChem CID 46674723) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
PubChem CID46674723
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCOc1ccccc1NC(=O)C(C)Sc1nc2ccccc2n1C
InChIInChI=1S/C19H21N3O2S/c1-4-24-17-12-8-6-10-15(17)20-18(23)13(2)25-19-21-14-9-5-7-11-16(14)22(19)3/h5-13H,4H2,1-3H3,(H,20,23)
InChIKeyBDYPCNGQJQBQNX-UHFFFAOYSA-N
XLogP4.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 40667482
(2R)-N-(2-acetylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 40667483
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide
CID 8727103
(2S)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide
CID 8727091
(2R)-N-(2-ethoxyphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8937546
N-(3-chloro-2-methylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630033
N-(2,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630035
N-(2-ethoxyphenyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
CID 55441442
N-(2-ethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 46629614
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 8985889
2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-ethoxyphenyl)propanamide
CID 46629266
N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide
CID 60561490

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide (CID 46674723) is N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide is CCOc1ccccc1NC(=O)C(C)Sc1nc2ccccc2n1C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide?
The InChIKey is BDYPCNGQJQBQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-4-24-17-12-8-6-10-15(17)20-18(23)13(2)25-19-21-14-9-5-7-11-16(14)22(19)3/h5-13H,4H2,1-3H3,(H,20,23).
What are the key properties of N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide?
N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide has a molecular weight of 355.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 46674723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).