N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide

C22H19N5O2S — CID 1432799

IUPACN-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3nc4ccccc4[nH]3)cn2)c1
InChIInChI=1S/C22H19N5O2S/c1-14(28)24-16-5-4-6-17(11-16)25-20(29)13-30-21-10-9-15(12-23-21)22-26-18-7-2-3-8-19(18)27-22/h2-12H,13H2,1H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyPULDLPSVEIRFNT-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.31
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide

N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 1432799) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID1432799
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC NameN-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3nc4ccccc4[nH]3)cn2)c1
InChIInChI=1S/C22H19N5O2S/c1-14(28)24-16-5-4-6-17(11-16)25-20(29)13-30-21-10-9-15(12-23-21)22-26-18-7-2-3-8-19(18)27-22/h2-12H,13H2,1H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyPULDLPSVEIRFNT-UHFFFAOYSA-N
XLogP4.31
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide (CID 1432799) is N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide is CC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3nc4ccccc4[nH]3)cn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is PULDLPSVEIRFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-14(28)24-16-5-4-6-17(11-16)25-20(29)13-30-21-10-9-15(12-23-21)22-26-18-7-2-3-8-19(18)27-22/h2-12H,13H2,1H3,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide?
N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 417.49 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 1432799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).