N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide

C21H23N5O4S — CID 30790468

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H23N5O4S/c27-20(22-17-6-7-18-19(14-17)24-21(28)23-18)15-25-9-11-26(12-10-25)31(29,30)13-8-16-4-2-1-3-5-16/h1-8,13-14H,9-12,15H2,(H,22,27)(H2,23,24,28)/b13-8+
InChIKeyNHZYZADOIWYBRA-MDWZMJQESA-N
MW441.51 g/mol
LogP1.41
Rot. Bonds6

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide (PubChem CID 30790468) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
PubChem CID30790468
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H23N5O4S/c27-20(22-17-6-7-18-19(14-17)24-21(28)23-18)15-25-9-11-26(12-10-25)31(29,30)13-8-16-4-2-1-3-5-16/h1-8,13-14H,9-12,15H2,(H,22,27)(H2,23,24,28)/b13-8+
InChIKeyNHZYZADOIWYBRA-MDWZMJQESA-N
XLogP1.41
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 2656048
N-(3,5-dimethylphenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 2655992
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 16618248
N-(2,5-difluorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 6214863
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2685860
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 8553828
dimethyl 2-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate
CID 6145858
N-(2-chloro-4-nitrophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 27183959
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8748884
methyl 4-[[2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetyl]amino]butanoate
CID 8689645
1-(2-methyl-1H-indol-3-yl)-2-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
CID 3913869

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide (CID 30790468) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
The InChIKey is NHZYZADOIWYBRA-MDWZMJQESA-N. The full InChI is InChI=1S/C21H23N5O4S/c27-20(22-17-6-7-18-19(14-17)24-21(28)23-18)15-25-9-11-26(12-10-25)31(29,30)13-8-16-4-2-1-3-5-16/h1-8,13-14H,9-12,15H2,(H,22,27)(H2,23,24,28)/b13-8+.
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 30790468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).