N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide

C23H24FN5O4S — CID 55984369

IUPACN-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C23H24FN5O4S/c24-19-4-2-6-21(16-19)34(32,33)29-13-11-28(12-14-29)23(31)18-3-1-5-20(15-18)26-22(30)7-9-27-10-8-25-17-27/h1-6,8,10,15-17H,7,9,11-14H2,(H,26,30)
InChIKeyGYKFNCORTXJPOG-UHFFFAOYSA-N
MW485.54 g/mol
LogP2.20
Rot. Bonds7

About N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide

N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide (PubChem CID 55984369) has the molecular formula C23H24FN5O4S and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide
PubChem CID55984369
Molecular FormulaC23H24FN5O4S
Molecular Weight485.54 g/mol
Exact Mass485.15
IUPAC NameN-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1
InChIInChI=1S/C23H24FN5O4S/c24-19-4-2-6-21(16-19)34(32,33)29-13-11-28(12-14-29)23(31)18-3-1-5-20(15-18)26-22(30)7-9-27-10-8-25-17-27/h1-6,8,10,15-17H,7,9,11-14H2,(H,26,30)
InChIKeyGYKFNCORTXJPOG-UHFFFAOYSA-N
XLogP2.20
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide 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

N-[4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 9369475
2-imidazol-1-yl-N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 24795557
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 4805711
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572
N-(4-fluoro-3-nitrophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 55984370
3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391382
N-[3-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31239856
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 155945950
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 26558503
N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide
CID 9020337

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide (CID 55984369) is N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1.
What is the InChIKey of N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide?
The InChIKey is GYKFNCORTXJPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4S/c24-19-4-2-6-21(16-19)34(32,33)29-13-11-28(12-14-29)23(31)18-3-1-5-20(15-18)26-22(30)7-9-27-10-8-25-17-27/h1-6,8,10,15-17H,7,9,11-14H2,(H,26,30).
What are the key properties of N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide?
N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide has a molecular weight of 485.54 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 55984369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).