N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide

C20H20N4O4S — CID 9495978

IUPACN-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H20N4O4S/c21-11-10-19(25)22-17-8-6-16(7-9-17)20(26)23-12-14-24(15-13-23)29(27,28)18-4-2-1-3-5-18/h1-9H,10,12-15H2,(H,22,25)
InChIKeyZNAXIOZMZRESKU-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.69
Rot. Bonds5

About N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide

N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide (PubChem CID 9495978) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide
PubChem CID9495978
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H20N4O4S/c21-11-10-19(25)22-17-8-6-16(7-9-17)20(26)23-12-14-24(15-13-23)29(27,28)18-4-2-1-3-5-18/h1-9H,10,12-15H2,(H,22,25)
InChIKeyZNAXIOZMZRESKU-UHFFFAOYSA-N
XLogP1.69
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]benzamide
CID 46536984
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
2-cyano-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 168522127
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
[4-(benzenesulfonyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110347167
N-[4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 26202323
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
N-[4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 9369475
[4-(benzenesulfonyl)piperazin-1-yl]-(4-butoxyphenyl)methanone
CID 9496030

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide?
The IUPAC name of N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide (CID 9495978) is N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide?
The canonical SMILES for N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide is N#CCC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide?
The InChIKey is ZNAXIOZMZRESKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c21-11-10-19(25)22-17-8-6-16(7-9-17)20(26)23-12-14-24(15-13-23)29(27,28)18-4-2-1-3-5-18/h1-9H,10,12-15H2,(H,22,25).
What are the key properties of N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide?
N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide has a molecular weight of 412.47 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(benzenesulfonyl)piperazine-1-carbonyl]phenyl]-2-cyanoacetamide is sourced from PubChem (CID 9495978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).