N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide

C21H24N4O3S — CID 8730774

IUPACN-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C#N)CC2)c(C)c1
InChIInChI=1S/C21H24N4O3S/c1-16-7-8-20(17(2)13-16)29(27,28)25-11-9-24(10-12-25)15-21(26)23-19-6-4-3-5-18(19)14-22/h3-8,13H,9-12,15H2,1-2H3,(H,23,26)
InChIKeyYZXXBMOPKSICOV-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.12
Rot. Bonds5

About N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide

N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 8730774) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID8730774
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C#N)CC2)c(C)c1
InChIInChI=1S/C21H24N4O3S/c1-16-7-8-20(17(2)13-16)29(27,28)25-11-9-24(10-12-25)15-21(26)23-19-6-4-3-5-18(19)14-22/h3-8,13H,9-12,15H2,1-2H3,(H,23,26)
InChIKeyYZXXBMOPKSICOV-UHFFFAOYSA-N
XLogP2.12
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680074
2-[[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 16554868
2-[4-(2-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 32677650
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 9286817
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801206
N-(3,5-difluorophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 24680053
N-(4-bromophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1178330
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-prop-2-ynylacetamide
CID 8787857
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8730879
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 8730839
2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 8730834

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 8730774) is N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3C#N)CC2)c(C)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is YZXXBMOPKSICOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-16-7-8-20(17(2)13-16)29(27,28)25-11-9-24(10-12-25)15-21(26)23-19-6-4-3-5-18(19)14-22/h3-8,13H,9-12,15H2,1-2H3,(H,23,26).
What are the key properties of N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 412.52 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8730774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).