N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide

C22H29N3O4S — CID 90684309

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide
SMILESCC(CCc1ccc(-c2ccc(N3CCNCC3)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H29N3O4S/c1-22(21(26)24-27,30(2,28)29)12-11-17-3-5-18(6-4-17)19-7-9-20(10-8-19)25-15-13-23-14-16-25/h3-10,23,27H,11-16H2,1-2H3,(H,24,26)
InChIKeyRULVKMDDMUXBKC-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.00
Rot. Bonds7

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide (PubChem CID 90684309) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide
PubChem CID90684309
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide
SMILESCC(CCc1ccc(-c2ccc(N3CCNCC3)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H29N3O4S/c1-22(21(26)24-27,30(2,28)29)12-11-17-3-5-18(6-4-17)19-7-9-20(10-8-19)25-15-13-23-14-16-25/h3-10,23,27H,11-16H2,1-2H3,(H,24,26)
InChIKeyRULVKMDDMUXBKC-UHFFFAOYSA-N
XLogP2.00
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(cyclohepten-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 86668776
N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide
CID 56951127
4-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684337
4-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851060
4-[4-(2,3-dichlorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684268
4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684284
N-hydroxy-4-[4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 140640861
4-[4-(5-cyanothiophen-2-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851121
4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 51355855
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038
N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide
CID 71462277
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(1-oxidopyridin-1-ium-4-yl)methoxy]phenyl]butanamide
CID 56951130

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide (CID 90684309) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide is CC(CCc1ccc(-c2ccc(N3CCNCC3)cc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide?
The InChIKey is RULVKMDDMUXBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-22(21(26)24-27,30(2,28)29)12-11-17-3-5-18(6-4-17)19-7-9-20(10-8-19)25-15-13-23-14-16-25/h3-10,23,27H,11-16H2,1-2H3,(H,24,26).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide has a molecular weight of 431.56 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-piperazin-1-ylphenyl)phenyl]butanamide is sourced from PubChem (CID 90684309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).