N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide

C21H24N4O3S2 — CID 60501385

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccccc2s1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H24N4O3S2/c1-16(20(26)23-21-22-18-9-5-6-10-19(18)29-21)24-11-13-25(14-12-24)30(27,28)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,22,23,26)
InChIKeySZQXSYRFSYEIBF-UHFFFAOYSA-N
MW444.58 g/mol
LogP2.77
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide

N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide (PubChem CID 60501385) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide
PubChem CID60501385
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1nc2ccccc2s1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H24N4O3S2/c1-16(20(26)23-21-22-18-9-5-6-10-19(18)29-21)24-11-13-25(14-12-24)30(27,28)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,22,23,26)
InChIKeySZQXSYRFSYEIBF-UHFFFAOYSA-N
XLogP2.77
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 50875700
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(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 9443234
N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 57299473
2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
CID 17487365
N-(1,3-benzothiazol-2-yl)-2-(2-methylmorpholin-4-yl)propanamide
CID 60507938
2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(1,3-benzothiazol-2-yl)propanamide
CID 86892404
N-(1,3-benzothiazol-2-yl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 164599622
N-(1,3-benzothiazol-2-yl)-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propanamide
CID 55830652
2-(4-methylpiperazin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 3229460
N-(1,3-benzothiazol-2-yl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]propanamide
CID 119038988
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide (CID 60501385) is N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide is CC(C(=O)Nc1nc2ccccc2s1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is SZQXSYRFSYEIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-16(20(26)23-21-22-18-9-5-6-10-19(18)29-21)24-11-13-25(14-12-24)30(27,28)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,22,23,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide?
N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 444.58 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-benzylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 60501385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).