3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide

C16H22N4O2S — CID 4878970

IUPAC3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
SMILESCSCCC(NC(=O)CCNC(C)=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H22N4O2S/c1-11(21)17-9-7-15(22)18-14(8-10-23-2)16-19-12-5-3-4-6-13(12)20-16/h3-6,14H,7-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyTZPUBKFFZRHWFX-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.00
Rot. Bonds8

About 3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide

3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide (PubChem CID 4878970) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
PubChem CID4878970
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
SMILESCSCCC(NC(=O)CCNC(C)=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H22N4O2S/c1-11(21)17-9-7-15(22)18-14(8-10-23-2)16-19-12-5-3-4-6-13(12)20-16/h3-6,14H,7-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyTZPUBKFFZRHWFX-UHFFFAOYSA-N
XLogP2.00
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-3-oxopropyl]-2-chlorobenzamide
CID 5160385
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 119855298
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(methylamino)butanamide;dihydrochloride
CID 119855271
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]hexanamide
CID 46603847
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide
CID 2114874
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide
CID 110204544
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3,4-dimethylphenyl)acetamide
CID 4807149
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(2-ethoxyphenoxy)butanamide
CID 42908100
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-phenylbutanamide
CID 2530693
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2-ethoxyphenoxy)acetamide
CID 2673869
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2-methoxyphenyl)acetamide
CID 3389323
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(1H-indol-3-yl)acetamide
CID 2124947

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide?
The IUPAC name of 3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide (CID 4878970) is 3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide?
The canonical SMILES for 3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide is CSCCC(NC(=O)CCNC(C)=O)c1nc2ccccc2[nH]1.
What is the InChIKey of 3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide?
The InChIKey is TZPUBKFFZRHWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11(21)17-9-7-15(22)18-14(8-10-23-2)16-19-12-5-3-4-6-13(12)20-16/h3-6,14H,7-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of 3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide?
3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide has a molecular weight of 334.45 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide is sourced from PubChem (CID 4878970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).