N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide

C23H27N5O4S — CID 55942405

About N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide

N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 55942405) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
• PubChem CID: 55942405
• Molecular Formula: C23H27N5O4S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.18
• IUPAC Name: N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cc1
• InChI: InChI=1S/C23H27N5O4S/c1-15(27-33(31,32)19-11-9-18(10-12-19)24-16(2)29)23(30)28-13-5-6-17(14-28)22-25-20-7-3-4-8-21(20)26-22/h3-4,7-12,15,17,27H,5-6,13-14H2,1-2H3,(H,24,29)(H,25,26)/t15-,17?/m0/s1
• InChIKey: XMILTBNNZWQNJI-MYJWUSKBSA-N
• XLogP: 2.59
• TPSA: 124.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?

The IUPAC name of N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide (CID 55942405) is N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?

The canonical SMILES for N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)cc1.

What is the InChIKey of N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?

The InChIKey is XMILTBNNZWQNJI-MYJWUSKBSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-15(27-33(31,32)19-11-9-18(10-12-19)24-16(2)29)23(30)28-13-5-6-17(14-28)22-25-20-7-3-4-8-21(20)26-22/h3-4,7-12,15,17,27H,5-6,13-14H2,1-2H3,(H,24,29)(H,25,26)/t15-,17?/m0/s1.

What are the key properties of N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide?

N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 469.57 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(2S)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 55942405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).