N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

C18H20FN3O3S2 — CID 53076860

IUPACN-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H20FN3O3S2/c19-14-3-1-2-4-15(14)21-8-10-22(11-9-21)27(24,25)16-7-12-26-17(16)18(23)20-13-5-6-13/h1-4,7,12-13H,5-6,8-11H2,(H,20,23)
InChIKeyBKSQKZXYVCVYBE-UHFFFAOYSA-N
MW409.51 g/mol
LogP2.29
Rot. Bonds5

About N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (PubChem CID 53076860) has the molecular formula C18H20FN3O3S2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
PubChem CID53076860
Molecular FormulaC18H20FN3O3S2
Molecular Weight409.51 g/mol
Exact Mass409.09
IUPAC NameN-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H20FN3O3S2/c19-14-3-1-2-4-15(14)21-8-10-22(11-9-21)27(24,25)16-7-12-26-17(16)18(23)20-13-5-6-13/h1-4,7,12-13H,5-6,8-11H2,(H,20,23)
InChIKeyBKSQKZXYVCVYBE-UHFFFAOYSA-N
XLogP2.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375055
N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 27374234
N-(4-aminocyclohexyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 119475088
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 49073387
N-cyclopentyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide
CID 51297984
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 24670564
tert-butyl 4-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 55985527
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 119455908
3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 55535803
N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076852
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 53076940

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (CID 53076860) is N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is O=C(NC1CC1)c1sccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The InChIKey is BKSQKZXYVCVYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S2/c19-14-3-1-2-4-15(14)21-8-10-22(11-9-21)27(24,25)16-7-12-26-17(16)18(23)20-13-5-6-13/h1-4,7,12-13H,5-6,8-11H2,(H,20,23).
What are the key properties of N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 53076860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).