5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide

C23H25FN2O4S — CID 4251401

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12
InChIInChI=1S/C23H25FN2O4S/c1-14-10-15(2)13-26(12-14)31(28,29)19-8-9-21-20(11-19)16(3)22(30-21)23(27)25-18-6-4-17(24)5-7-18/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,25,27)
InChIKeyXBFIAXVQEBQLNV-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.80
Rot. Bonds4

About 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4251401) has the molecular formula C23H25FN2O4S and a molecular weight of 444.53 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID4251401
Molecular FormulaC23H25FN2O4S
Molecular Weight444.53 g/mol
Exact Mass444.15
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12
InChIInChI=1S/C23H25FN2O4S/c1-14-10-15(2)13-26(12-14)31(28,29)19-8-9-21-20(11-19)16(3)22(30-21)23(27)25-18-6-4-17(24)5-7-18/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,25,27)
InChIKeyXBFIAXVQEBQLNV-UHFFFAOYSA-N
XLogP4.80
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide 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'-[(1-Benzofuran-2-ylcarbonyl)amino]-1,1'-biphenyl-4-YL}sulfonyl)-L-valine
CID 6852146
Biphenylsulfonamide carboxylate, 20
CID 24901485
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
(S)-2-{4''-[(5-Acetylamino-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid
CID 44397568
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 834154
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 118722639
3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4316625
5-bromo-3-methyl-N-(3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4319713
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4798391
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 4832877
N-[4-(morpholin-4-yl)phenyl]-1-benzofuran-2-carboxamide
CID 783430
N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 833756

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 4251401) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is XBFIAXVQEBQLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4S/c1-14-10-15(2)13-26(12-14)31(28,29)19-8-9-21-20(11-19)16(3)22(30-21)23(27)25-18-6-4-17(24)5-7-18/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,25,27).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4251401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).