N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C22H26N4O4S2 — CID 4878906

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C22H26N4O4S2/c1-15-6-8-17-18(12-15)25-22(24-17)31-14-21(27)23-19-13-16(7-9-20(19)30-2)32(28,29)26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyMEOQAKXGXSKUDB-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.79
Rot. Bonds7

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 4878906) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID4878906
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C22H26N4O4S2/c1-15-6-8-17-18(12-15)25-22(24-17)31-14-21(27)23-19-13-16(7-9-20(19)30-2)32(28,29)26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyMEOQAKXGXSKUDB-UHFFFAOYSA-N
XLogP3.79
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 4042810
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CID 17324815
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CID 27209925
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 4878906) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is MEOQAKXGXSKUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-15-6-8-17-18(12-15)25-22(24-17)31-14-21(27)23-19-13-16(7-9-20(19)30-2)32(28,29)26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 474.61 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4878906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).