N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C21H23FN4O4S — CID 55633450

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCn1ccnc1C(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O4S/c1-25-14-11-23-20(25)19(15-5-7-16(22)8-6-15)24-21(27)17-9-10-18(30-17)31(28,29)26-12-3-2-4-13-26/h5-11,14,19H,2-4,12-13H2,1H3,(H,24,27)
InChIKeyTXDQDVMTDQXZGC-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.85
Rot. Bonds6

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55633450) has the molecular formula C21H23FN4O4S and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55633450
Molecular FormulaC21H23FN4O4S
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCn1ccnc1C(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)c1ccc(F)cc1
InChIInChI=1S/C21H23FN4O4S/c1-25-14-11-23-20(25)19(15-5-7-16(22)8-6-15)24-21(27)17-9-10-18(30-17)31(28,29)26-12-3-2-4-13-26/h5-11,14,19H,2-4,12-13H2,1H3,(H,24,27)
InChIKeyTXDQDVMTDQXZGC-UHFFFAOYSA-N
XLogP2.85
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]azepane-1-sulfonamide
CID 18148569
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 27034480
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 25390628
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98682472
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 41041499
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
4-fluoro-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 25342034
4-fluoro-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 42924351
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 18226485
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42924134

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55633450) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide is Cn1ccnc1C(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is TXDQDVMTDQXZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S/c1-25-14-11-23-20(25)19(15-5-7-16(22)8-6-15)24-21(27)17-9-10-18(30-17)31(28,29)26-12-3-2-4-13-26/h5-11,14,19H,2-4,12-13H2,1H3,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55633450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).