2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C26H26N4O3S2 — CID 23739711

IUPAC2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H26N4O3S2/c31-25(27-20-13-15-22(16-14-20)35(32,33)29-17-7-2-8-18-29)19-34-26-28-23-11-5-6-12-24(23)30(26)21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-19H2,(H,27,31)
InChIKeyJSOKXUCRMPJLHC-UHFFFAOYSA-N
MW506.65 g/mol
LogP4.93
Rot. Bonds7

About 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 23739711) has the molecular formula C26H26N4O3S2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID23739711
Molecular FormulaC26H26N4O3S2
Molecular Weight506.65 g/mol
Exact Mass506.14
IUPAC Name2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H26N4O3S2/c31-25(27-20-13-15-22(16-14-20)35(32,33)29-17-7-2-8-18-29)19-34-26-28-23-11-5-6-12-24(23)30(26)21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-19H2,(H,27,31)
InChIKeyJSOKXUCRMPJLHC-UHFFFAOYSA-N
XLogP4.93
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 23931652
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 3620741
N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4097321
2-(2-phenylquinazolin-4-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1155564
N-(4-morpholin-4-ylsulfonylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518045
N-(4-piperidin-1-ylsulfonylphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2412906
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4560229
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 27929676
2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801
N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 5072575
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2366857
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 42975704

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 23739711) is 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is JSOKXUCRMPJLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S2/c31-25(27-20-13-15-22(16-14-20)35(32,33)29-17-7-2-8-18-29)19-34-26-28-23-11-5-6-12-24(23)30(26)21-9-3-1-4-10-21/h1,3-6,9-16H,2,7-8,17-19H2,(H,27,31).
What are the key properties of 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 506.65 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 23739711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).