N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

C23H29N3O4S — CID 108535301

IUPACN-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C23H29N3O4S/c1-23(2,3)19-9-5-17(6-10-19)21(27)25-13-15-26(16-14-25)22(28)18-7-11-20(12-8-18)24-31(4,29)30/h5-12,24H,13-16H2,1-4H3
InChIKeyQTHRIFCOZBUPCC-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.95
Rot. Bonds4

About N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide

N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 108535301) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
PubChem CID108535301
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C23H29N3O4S/c1-23(2,3)19-9-5-17(6-10-19)21(27)25-13-15-26(16-14-25)22(28)18-7-11-20(12-8-18)24-31(4,29)30/h5-12,24H,13-16H2,1-4H3
InChIKeyQTHRIFCOZBUPCC-UHFFFAOYSA-N
XLogP2.95
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide 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-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
N-[4-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 32641762
N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
CID 7029961
4-[4-(methanesulfonamido)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 108568463
N-[4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535322
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
N-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 60956881
prop-2-enyl 4-[4-(methanesulfonamido)benzoyl]piperazine-1-carboxylate
CID 108568479
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2972888
N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-4-chlorobenzenesulfonamide
CID 1056916
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide (CID 108535301) is N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is CC(C)(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is QTHRIFCOZBUPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-23(2,3)19-9-5-17(6-10-19)21(27)25-13-15-26(16-14-25)22(28)18-7-11-20(12-8-18)24-31(4,29)30/h5-12,24H,13-16H2,1-4H3.
What are the key properties of N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide?
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 443.57 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 108535301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).