4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide

C30H32N6O4S — CID 134085066

IUPAC4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)C(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C30H32N6O4S/c1-23-7-11-25(12-8-23)32-30(38)35-19-20-36(41(39,40)27-13-9-24(21-31)10-14-27)28(22-35)29(37)34-17-15-33(16-18-34)26-5-3-2-4-6-26/h2-14,28H,15-20,22H2,1H3,(H,32,38)
InChIKeyLUQLTKGCEJHEJK-UHFFFAOYSA-N
MW572.69 g/mol
LogP3.12
Rot. Bonds5

About 4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide

4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide (PubChem CID 134085066) has the molecular formula C30H32N6O4S and a molecular weight of 572.69 g/mol. Its IUPAC name is 4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
PubChem CID134085066
Molecular FormulaC30H32N6O4S
Molecular Weight572.69 g/mol
Exact Mass572.22
IUPAC Name4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)C(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C30H32N6O4S/c1-23-7-11-25(12-8-23)32-30(38)35-19-20-36(41(39,40)27-13-9-24(21-31)10-14-27)28(22-35)29(37)34-17-15-33(16-18-34)26-5-3-2-4-6-26/h2-14,28H,15-20,22H2,1H3,(H,32,38)
InChIKeyLUQLTKGCEJHEJK-UHFFFAOYSA-N
XLogP3.12
TPSA117.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.69
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide 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

4-(4-cyanophenyl)sulfonyl-N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085078
4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085061
4-(4-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
CID 75251376
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
[(3R)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2321362
4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408
4-(4-fluorophenyl)sulfonyl-3-N-methyl-1-N-(4-methylphenyl)piperazine-1,3-dicarboxamide
CID 134084972
4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 134085125
4-(5-chlorothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085076
(3S)-4-(3-cyanophenyl)sulfonyl-3-methyl-N-phenylpiperazine-1-carboxamide
CID 68758709
4-(4-cyanophenyl)-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111826
1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
CID 18077712

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide (CID 134085066) is 4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)C(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide?
The InChIKey is LUQLTKGCEJHEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O4S/c1-23-7-11-25(12-8-23)32-30(38)35-19-20-36(41(39,40)27-13-9-24(21-31)10-14-27)28(22-35)29(37)34-17-15-33(16-18-34)26-5-3-2-4-6-26/h2-14,28H,15-20,22H2,1H3,(H,32,38).
What are the key properties of 4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide?
4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide has a molecular weight of 572.69 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 134085066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).