2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C19H20N4O4S2 — CID 3691415

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20N4O4S2/c24-18(13-28-19-21-16-6-1-2-7-17(16)22-19)20-14-4-3-5-15(12-14)29(25,26)23-8-10-27-11-9-23/h1-7,12H,8-11,13H2,(H,20,24)(H,21,22)
InChIKeyWHYAJHMVYOPLHJ-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.31
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 3691415) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID3691415
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20N4O4S2/c24-18(13-28-19-21-16-6-1-2-7-17(16)22-19)20-14-4-3-5-15(12-14)29(25,26)23-8-10-27-11-9-23/h1-7,12H,8-11,13H2,(H,20,24)(H,21,22)
InChIKeyWHYAJHMVYOPLHJ-UHFFFAOYSA-N
XLogP2.31
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 3691415) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is WHYAJHMVYOPLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c24-18(13-28-19-21-16-6-1-2-7-17(16)22-19)20-14-4-3-5-15(12-14)29(25,26)23-8-10-27-11-9-23/h1-7,12H,8-11,13H2,(H,20,24)(H,21,22).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 432.53 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3691415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).