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

C22H28FN3O3S2 — CID 27374234

IUPACN-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O3S2/c23-17-7-9-19(10-8-17)25-12-14-26(15-13-25)31(28,29)20-11-16-30-21(20)22(27)24-18-5-3-1-2-4-6-18/h7-11,16,18H,1-6,12-15H2,(H,24,27)
InChIKeyZBAWNRFKXWOCBN-UHFFFAOYSA-N
MW465.62 g/mol
LogP3.85
Rot. Bonds5

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

N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (PubChem CID 27374234) has the molecular formula C22H28FN3O3S2 and a molecular weight of 465.62 g/mol. Its IUPAC name is N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
PubChem CID27374234
Molecular FormulaC22H28FN3O3S2
Molecular Weight465.62 g/mol
Exact Mass465.16
IUPAC NameN-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O3S2/c23-17-7-9-19(10-8-17)25-12-14-26(15-13-25)31(28,29)20-11-16-30-21(20)22(27)24-18-5-3-1-2-4-6-18/h7-11,16,18H,1-6,12-15H2,(H,24,27)
InChIKeyZBAWNRFKXWOCBN-UHFFFAOYSA-N
XLogP3.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 27375055
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CID 53076860
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CID 24670564
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3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 49073387
3-morpholin-4-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 55535803
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CID 51297984
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 119455908
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
N-butyl-3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The IUPAC name of N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide (CID 27374234) is N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is O=C(NC1CCCCCC1)c1sccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
The InChIKey is ZBAWNRFKXWOCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S2/c23-17-7-9-19(10-8-17)25-12-14-26(15-13-25)31(28,29)20-11-16-30-21(20)22(27)24-18-5-3-1-2-4-6-18/h7-11,16,18H,1-6,12-15H2,(H,24,27).
What are the key properties of N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide?
N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 27374234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).