N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide

C17H24N4O2S — CID 112774728

IUPACN-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCCCCn1c(SCC(=O)NC(=O)NCC)nc2ccccc21
InChIInChI=1S/C17H24N4O2S/c1-3-5-8-11-21-14-10-7-6-9-13(14)19-17(21)24-12-15(22)20-16(23)18-4-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H2,18,20,22,23)
InChIKeyTUKCHSPPGGSCGU-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.16
Rot. Bonds8

About N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide

N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 112774728) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID112774728
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCCCCn1c(SCC(=O)NC(=O)NCC)nc2ccccc21
InChIInChI=1S/C17H24N4O2S/c1-3-5-8-11-21-14-10-7-6-9-13(14)19-17(21)24-12-15(22)20-16(23)18-4-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H2,18,20,22,23)
InChIKeyTUKCHSPPGGSCGU-UHFFFAOYSA-N
XLogP3.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16505827
N-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide
CID 3687181
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742
2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 84601695
N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide
CID 7173108
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 4814186
2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 7173153
2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7173082
2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7173080
N-(ethylcarbamoyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4014846
2-methylsulfanyl-1-pentylbenzimidazole
CID 112774737

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide (CID 112774728) is N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide is CCCCCn1c(SCC(=O)NC(=O)NCC)nc2ccccc21.
What is the InChIKey of N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is TUKCHSPPGGSCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-5-8-11-21-14-10-7-6-9-13(14)19-17(21)24-12-15(22)20-16(23)18-4-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H2,18,20,22,23).
What are the key properties of N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide?
N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 348.47 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 112774728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).