N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide

C27H28N4O3S — CID 27602175

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)C1
InChIInChI=1S/C27H28N4O3S/c1-18-15-19(2)17-31(16-18)35(33,34)23-13-9-21(10-14-23)27(32)28-22-11-7-20(8-12-22)26-29-24-5-3-4-6-25(24)30-26/h3-14,18-19H,15-17H2,1-2H3,(H,28,32)(H,29,30)/t18-,19+
InChIKeyOVDLLHNWXRVURH-KDURUIRLSA-N
MW488.61 g/mol
LogP5.15
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 27602175) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
PubChem CID27602175
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)C1
InChIInChI=1S/C27H28N4O3S/c1-18-15-19(2)17-31(16-18)35(33,34)23-13-9-21(10-14-23)27(32)28-22-11-7-20(8-12-22)26-29-24-5-3-4-6-25(24)30-26/h3-14,18-19H,15-17H2,1-2H3,(H,28,32)(H,29,30)/t18-,19+
InChIKeyOVDLLHNWXRVURH-KDURUIRLSA-N
XLogP5.15
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide with MolForge

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2583459
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-(4-cyanophenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 18266563
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 5168409
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26264601
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 46647395
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 3481507

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide (CID 27602175) is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide is C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)C1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is OVDLLHNWXRVURH-KDURUIRLSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-18-15-19(2)17-31(16-18)35(33,34)23-13-9-21(10-14-23)27(32)28-22-11-7-20(8-12-22)26-29-24-5-3-4-6-25(24)30-26/h3-14,18-19H,15-17H2,1-2H3,(H,28,32)(H,29,30)/t18-,19+.
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 488.61 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 27602175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).