N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

C15H21N3O2S — CID 17405689

IUPACN-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCOCCCNC(=O)CSc1nc2ccccc2n1C
InChIInChI=1S/C15H21N3O2S/c1-3-20-10-6-9-16-14(19)11-21-15-17-12-7-4-5-8-13(12)18(15)2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,19)
InChIKeyORTCJQATYJJFTL-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.21
Rot. Bonds8

About N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 17405689) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID17405689
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCOCCCNC(=O)CSc1nc2ccccc2n1C
InChIInChI=1S/C15H21N3O2S/c1-3-20-10-6-9-16-14(19)11-21-15-17-12-7-4-5-8-13(12)18(15)2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,19)
InChIKeyORTCJQATYJJFTL-UHFFFAOYSA-N
XLogP2.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoate
CID 51139099
N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide
CID 166196952
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)acetamide
CID 17454712
N-(1-methylbenzimidazol-2-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 21226926
N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4789081
N-(3-ethoxypropyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51253387
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390
ethyl 4-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 27929688
N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17417102
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-pentylacetamide
CID 33247965
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 37053385
N-(3-ethoxypropyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951424

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 17405689) is N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is CCOCCCNC(=O)CSc1nc2ccccc2n1C.
What is the InChIKey of N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is ORTCJQATYJJFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-20-10-6-9-16-14(19)11-21-15-17-12-7-4-5-8-13(12)18(15)2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,19).
What are the key properties of N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 307.42 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 17405689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).