3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide

C21H22FN3O3S — CID 86904048

IUPAC3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide
SMILESCc1nccn1Cc1ccc(NC(=O)CC(C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FN3O3S/c1-15(29(27,28)20-9-5-18(22)6-10-20)13-21(26)24-19-7-3-17(4-8-19)14-25-12-11-23-16(25)2/h3-12,15H,13-14H2,1-2H3,(H,24,26)
InChIKeyXBPKPHYZMDUFEB-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.57
Rot. Bonds7

About 3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide

3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide (PubChem CID 86904048) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide
PubChem CID86904048
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide
SMILESCc1nccn1Cc1ccc(NC(=O)CC(C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H22FN3O3S/c1-15(29(27,28)20-9-5-18(22)6-10-20)13-21(26)24-19-7-3-17(4-8-19)14-25-12-11-23-16(25)2/h3-12,15H,13-14H2,1-2H3,(H,24,26)
InChIKeyXBPKPHYZMDUFEB-UHFFFAOYSA-N
XLogP3.57
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide 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

disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
CID 139198488
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 56583697
(2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide
CID 96569745
(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]prop-2-enamide
CID 56583503
2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 56578005
3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide
CID 56583336
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
5-ethyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 56784420
3-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(4-fluorophenyl)propanamide
CID 78877050
(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708178
N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide
CID 56869896
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide (CID 86904048) is 3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide is Cc1nccn1Cc1ccc(NC(=O)CC(C)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide?
The InChIKey is XBPKPHYZMDUFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-15(29(27,28)20-9-5-18(22)6-10-20)13-21(26)24-19-7-3-17(4-8-19)14-25-12-11-23-16(25)2/h3-12,15H,13-14H2,1-2H3,(H,24,26).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide?
3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide has a molecular weight of 415.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 86904048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).