4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide

C21H35N3O4S — CID 55493812

IUPAC4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)C(C)Oc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C21H35N3O4S/c1-7-23(8-2)29(26,27)24-15-13-22(14-16-24)20(25)17(3)28-19-11-9-18(10-12-19)21(4,5)6/h9-12,17H,7-8,13-16H2,1-6H3
InChIKeyAZUHHWOPNDVHCS-UHFFFAOYSA-N
MW425.60 g/mol
LogP2.48
Rot. Bonds7

About 4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide

4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide (PubChem CID 55493812) has the molecular formula C21H35N3O4S and a molecular weight of 425.60 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide
PubChem CID55493812
Molecular FormulaC21H35N3O4S
Molecular Weight425.60 g/mol
Exact Mass425.23
IUPAC Name4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)C(C)Oc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C21H35N3O4S/c1-7-23(8-2)29(26,27)24-15-13-22(14-16-24)20(25)17(3)28-19-11-9-18(10-12-19)21(4,5)6/h9-12,17H,7-8,13-16H2,1-6H3
InChIKeyAZUHHWOPNDVHCS-UHFFFAOYSA-N
XLogP2.48
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide 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

2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
N,N-dimethyl-4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazine-1-sulfonamide
CID 108568945
N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655152
2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 78801387
2-(4-hydroxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 108568120
(2S)-2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 7428494
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534667
2-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119177809
(2R)-2-(4-tert-butylphenoxy)-1-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 97213552
(2S)-2-(4-tert-butylphenoxy)-1-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-one
CID 97213549
2-(4-tert-butylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 43016601
N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide
CID 47082365

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide (CID 55493812) is 4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)C(C)Oc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide?
The InChIKey is AZUHHWOPNDVHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O4S/c1-7-23(8-2)29(26,27)24-15-13-22(14-16-24)20(25)17(3)28-19-11-9-18(10-12-19)21(4,5)6/h9-12,17H,7-8,13-16H2,1-6H3.
What are the key properties of 4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide?
4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide has a molecular weight of 425.60 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenoxy)propanoyl]-N,N-diethylpiperazine-1-sulfonamide is sourced from PubChem (CID 55493812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).