N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide

C30H42N4O3S — CID 90217101

IUPACN-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide
SMILESCC(C)(C)N1CCN(C(=O)C2CCC(NS(=O)(=O)c3ccc4c(c3)NCCC4)CC2)C(c2ccccc2)C1
InChIInChI=1S/C30H42N4O3S/c1-30(2,3)33-18-19-34(28(21-33)23-8-5-4-6-9-23)29(35)24-11-14-25(15-12-24)32-38(36,37)26-16-13-22-10-7-17-31-27(22)20-26/h4-6,8-9,13,16,20,24-25,28,31-32H,7,10-12,14-15,17-19,21H2,1-3H3
InChIKeyXPQPMILWXJEPIM-UHFFFAOYSA-N
MW538.76 g/mol
LogP4.57
Rot. Bonds5

About N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide

N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide (PubChem CID 90217101) has the molecular formula C30H42N4O3S and a molecular weight of 538.76 g/mol. Its IUPAC name is N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide
PubChem CID90217101
Molecular FormulaC30H42N4O3S
Molecular Weight538.76 g/mol
Exact Mass538.30
IUPAC NameN-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide
SMILESCC(C)(C)N1CCN(C(=O)C2CCC(NS(=O)(=O)c3ccc4c(c3)NCCC4)CC2)C(c2ccccc2)C1
InChIInChI=1S/C30H42N4O3S/c1-30(2,3)33-18-19-34(28(21-33)23-8-5-4-6-9-23)29(35)24-11-14-25(15-12-24)32-38(36,37)26-16-13-22-10-7-17-31-27(22)20-26/h4-6,8-9,13,16,20,24-25,28,31-32H,7,10-12,14-15,17-19,21H2,1-3H3
InChIKeyXPQPMILWXJEPIM-UHFFFAOYSA-N
XLogP4.57
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.76
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
The IUPAC name of N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide (CID 90217101) is N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide.
What is the SMILES notation for N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
The canonical SMILES for N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide is CC(C)(C)N1CCN(C(=O)C2CCC(NS(=O)(=O)c3ccc4c(c3)NCCC4)CC2)C(c2ccccc2)C1.
What is the InChIKey of N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
The InChIKey is XPQPMILWXJEPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O3S/c1-30(2,3)33-18-19-34(28(21-33)23-8-5-4-6-9-23)29(35)24-11-14-25(15-12-24)32-38(36,37)26-16-13-22-10-7-17-31-27(22)20-26/h4-6,8-9,13,16,20,24-25,28,31-32H,7,10-12,14-15,17-19,21H2,1-3H3.
What are the key properties of N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide?
N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide has a molecular weight of 538.76 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butyl-2-phenylpiperazine-1-carbonyl)cyclohexyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide is sourced from PubChem (CID 90217101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).