N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide

C18H25N3O2S2 — CID 3240915

IUPACN-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2S2/c1-15(19-25(2,22)23)18(17-9-6-14-24-17)21-12-10-20(11-13-21)16-7-4-3-5-8-16/h3-9,14-15,18-19H,10-13H2,1-2H3
InChIKeyVRPOKYQSMJMPDT-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.55
Rot. Bonds6

About N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide

N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide (PubChem CID 3240915) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
PubChem CID3240915
Molecular FormulaC18H25N3O2S2
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC NameN-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2S2/c1-15(19-25(2,22)23)18(17-9-6-14-24-17)21-12-10-20(11-13-21)16-7-4-3-5-8-16/h3-9,14-15,18-19H,10-13H2,1-2H3
InChIKeyVRPOKYQSMJMPDT-UHFFFAOYSA-N
XLogP2.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide (CID 3240915) is N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
The InChIKey is VRPOKYQSMJMPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c1-15(19-25(2,22)23)18(17-9-6-14-24-17)21-12-10-20(11-13-21)16-7-4-3-5-8-16/h3-9,14-15,18-19H,10-13H2,1-2H3.
What are the key properties of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide has a molecular weight of 379.55 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 3240915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).