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

C22H26N4O3S — CID 16822751

IUPACN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c1-15(2)22(27)23-17-7-9-18(10-8-17)30(28,29)26-13-11-16(12-14-26)21-24-19-5-3-4-6-20(19)25-21/h3-10,15-16H,11-14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyMYOGSTPDMPQDCP-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.73
Rot. Bonds5

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

N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide (PubChem CID 16822751) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide
PubChem CID16822751
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c1-15(2)22(27)23-17-7-9-18(10-8-17)30(28,29)26-13-11-16(12-14-26)21-24-19-5-3-4-6-20(19)25-21/h3-10,15-16H,11-14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyMYOGSTPDMPQDCP-UHFFFAOYSA-N
XLogP3.73
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide (CID 16822751) is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide?
The InChIKey is MYOGSTPDMPQDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-15(2)22(27)23-17-7-9-18(10-8-17)30(28,29)26-13-11-16(12-14-26)21-24-19-5-3-4-6-20(19)25-21/h3-10,15-16H,11-14H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide?
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide has a molecular weight of 426.54 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-methylpropanamide is sourced from PubChem (CID 16822751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).