N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide

C24H32N4O3S2 — CID 86341997

IUPACN-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(CCN3CCN(c4nsc5ccccc45)CC3)CC2)o1
InChIInChI=1S/C24H32N4O3S2/c1-18-6-11-23(31-18)33(29,30)26-20-9-7-19(8-10-20)12-13-27-14-16-28(17-15-27)24-21-4-2-3-5-22(21)32-25-24/h2-6,11,19-20,26H,7-10,12-17H2,1H3
InChIKeyLFOIYGHYJZAMLX-UHFFFAOYSA-N
MW488.68 g/mol
LogP4.25
Rot. Bonds7

About N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide

N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide (PubChem CID 86341997) has the molecular formula C24H32N4O3S2 and a molecular weight of 488.68 g/mol. Its IUPAC name is N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide
PubChem CID86341997
Molecular FormulaC24H32N4O3S2
Molecular Weight488.68 g/mol
Exact Mass488.19
IUPAC NameN-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(CCN3CCN(c4nsc5ccccc45)CC3)CC2)o1
InChIInChI=1S/C24H32N4O3S2/c1-18-6-11-23(31-18)33(29,30)26-20-9-7-19(8-10-20)12-13-27-14-16-28(17-15-27)24-21-4-2-3-5-22(21)32-25-24/h2-6,11,19-20,26H,7-10,12-17H2,1H3
InChIKeyLFOIYGHYJZAMLX-UHFFFAOYSA-N
XLogP4.25
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.68
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide?
The IUPAC name of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide (CID 86341997) is N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide.
What is the SMILES notation for N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide?
The canonical SMILES for N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide is Cc1ccc(S(=O)(=O)NC2CCC(CCN3CCN(c4nsc5ccccc45)CC3)CC2)o1.
What is the InChIKey of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide?
The InChIKey is LFOIYGHYJZAMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S2/c1-18-6-11-23(31-18)33(29,30)26-20-9-7-19(8-10-20)12-13-27-14-16-28(17-15-27)24-21-4-2-3-5-22(21)32-25-24/h2-6,11,19-20,26H,7-10,12-17H2,1H3.
What are the key properties of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide?
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide has a molecular weight of 488.68 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-5-methylfuran-2-sulfonamide is sourced from PubChem (CID 86341997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).