2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide

C20H17N3O3S — CID 55979578

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccc3oc(=O)ccc3c2)nc2ccccc21
InChIInChI=1S/C20H17N3O3S/c1-2-23-16-6-4-3-5-15(16)22-20(23)27-12-18(24)21-14-8-9-17-13(11-14)7-10-19(25)26-17/h3-11H,2,12H2,1H3,(H,21,24)
InChIKeyIETIMRHUAVUPPA-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.89
Rot. Bonds5

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide (PubChem CID 55979578) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
PubChem CID55979578
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccc3oc(=O)ccc3c2)nc2ccccc21
InChIInChI=1S/C20H17N3O3S/c1-2-23-16-6-4-3-5-15(16)22-20(23)27-12-18(24)21-14-8-9-17-13(11-14)7-10-19(25)26-17/h3-11H,2,12H2,1H3,(H,21,24)
InChIKeyIETIMRHUAVUPPA-UHFFFAOYSA-N
XLogP3.89
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171467
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide
CID 18279761
N-(3,5-dimethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 1142140
N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171496
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 55305652
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16500021
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide
CID 4298735
N-(3,4-difluorophenyl)-2-(1-propylbenzimidazol-2-yl)sulfanylacetamide
CID 3961652
N-(2,6-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171502
N-(2,6-difluorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7246603
2-(9-oxoacridin-10-yl)-N-(2-oxochromen-6-yl)acetamide
CID 47059966
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-oxochromen-6-yl)acetamide
CID 4282626

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide (CID 55979578) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide is CCn1c(SCC(=O)Nc2ccc3oc(=O)ccc3c2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide?
The InChIKey is IETIMRHUAVUPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-2-23-16-6-4-3-5-15(16)22-20(23)27-12-18(24)21-14-8-9-17-13(11-14)7-10-19(25)26-17/h3-11H,2,12H2,1H3,(H,21,24).
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 55979578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).