N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide

C27H28N4O4S — CID 29043649

IUPACN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C27H28N4O4S/c1-2-35-22-11-7-20(8-12-22)27(32)28-21-9-13-23(14-10-21)36(33,34)31-17-15-19(16-18-31)26-29-24-5-3-4-6-25(24)30-26/h3-14,19H,2,15-18H2,1H3,(H,28,32)(H,29,30)
InChIKeyFANKWEZIXNUCCA-UHFFFAOYSA-N
MW504.61 g/mol
LogP4.78
Rot. Bonds7

About N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide

N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide (PubChem CID 29043649) has the molecular formula C27H28N4O4S and a molecular weight of 504.61 g/mol. Its IUPAC name is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide
PubChem CID29043649
Molecular FormulaC27H28N4O4S
Molecular Weight504.61 g/mol
Exact Mass504.18
IUPAC NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1
InChIInChI=1S/C27H28N4O4S/c1-2-35-22-11-7-20(8-12-22)27(32)28-21-9-13-23(14-10-21)36(33,34)31-17-15-19(16-18-31)26-29-24-5-3-4-6-25(24)30-26/h3-14,19H,2,15-18H2,1H3,(H,28,32)(H,29,30)
InChIKeyFANKWEZIXNUCCA-UHFFFAOYSA-N
XLogP4.78
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.61
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide?
The IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide (CID 29043649) is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1.
What is the InChIKey of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide?
The InChIKey is FANKWEZIXNUCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4S/c1-2-35-22-11-7-20(8-12-22)27(32)28-21-9-13-23(14-10-21)36(33,34)31-17-15-19(16-18-31)26-29-24-5-3-4-6-25(24)30-26/h3-14,19H,2,15-18H2,1H3,(H,28,32)(H,29,30).
What are the key properties of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide?
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide has a molecular weight of 504.61 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-ethoxybenzamide is sourced from PubChem (CID 29043649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).