2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide

C19H21N3O2S — CID 86982265

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C19H21N3O2S/c23-18(13-25-19-20-16-9-3-4-10-17(16)21-19)22(14-6-1-2-7-14)12-15-8-5-11-24-15/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,20,21)
InChIKeyXSJVXXYXVRXVJA-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.22
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 86982265) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide
PubChem CID86982265
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C19H21N3O2S/c23-18(13-25-19-20-16-9-3-4-10-17(16)21-19)22(14-6-1-2-7-14)12-15-8-5-11-24-15/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,20,21)
InChIKeyXSJVXXYXVRXVJA-UHFFFAOYSA-N
XLogP4.22
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone
CID 113341185
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 40565640
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 42886301
2-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 40656471
N-cyclohexyl-N-ethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 23849471
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
CID 54871048
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7374604
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7374599
2-(1H-benzimidazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 1282459
N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86998215
N-cyclopentyl-2,2-difluoro-N-(furan-2-ylmethyl)acetamide
CID 103514769

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide (CID 86982265) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide is O=C(CSc1nc2ccccc2[nH]1)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is XSJVXXYXVRXVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-18(13-25-19-20-16-9-3-4-10-17(16)21-19)22(14-6-1-2-7-14)12-15-8-5-11-24-15/h3-5,8-11,14H,1-2,6-7,12-13H2,(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 86982265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).