N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

C19H28N4O2S — CID 51254864

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)Cn1c(CSC)nc2ccccc21
InChIInChI=1S/C19H28N4O2S/c1-6-22(11-17(24)21-19(2,3)4)18(25)12-23-15-10-8-7-9-14(15)20-16(23)13-26-5/h7-10H,6,11-13H2,1-5H3,(H,21,24)
InChIKeyDUJLVZFTUIHOTI-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.66
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 51254864) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
PubChem CID51254864
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)Cn1c(CSC)nc2ccccc21
InChIInChI=1S/C19H28N4O2S/c1-6-22(11-17(24)21-19(2,3)4)18(25)12-23-15-10-8-7-9-14(15)20-16(23)13-26-5/h7-10H,6,11-13H2,1-5H3,(H,21,24)
InChIKeyDUJLVZFTUIHOTI-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015482
N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 55439304
N,N-diethyl-4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 17467311
N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 36676558
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 119653244
N-methoxy-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015440
3-[methyl-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119232506
N-[[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969582
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 34804322
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide;dihydrochloride
CID 119582009
N-benzyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 52526747
N-benzyl-N-(2-methoxyethyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 134015449

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (CID 51254864) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is CCN(CC(=O)NC(C)(C)C)C(=O)Cn1c(CSC)nc2ccccc21.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is DUJLVZFTUIHOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-6-22(11-17(24)21-19(2,3)4)18(25)12-23-15-10-8-7-9-14(15)20-16(23)13-26-5/h7-10H,6,11-13H2,1-5H3,(H,21,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 376.53 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 51254864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).