N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide

C14H21N3O3S — CID 2963709

IUPACN-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H21N3O3S/c1-3-14(18)15-12-6-4-5-7-13(12)16-8-10-17(11-9-16)21(2,19)20/h4-7H,3,8-11H2,1-2H3,(H,15,18)
InChIKeyYXPSMDYSVHFYOJ-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.12
Rot. Bonds4

About N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide

N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide (PubChem CID 2963709) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide
PubChem CID2963709
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H21N3O3S/c1-3-14(18)15-12-6-4-5-7-13(12)16-8-10-17(11-9-16)21(2,19)20/h4-7H,3,8-11H2,1-2H3,(H,15,18)
InChIKeyYXPSMDYSVHFYOJ-UHFFFAOYSA-N
XLogP1.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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2,2-dimethyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide
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CID 893951
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide (CID 2963709) is N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide is CCC(=O)Nc1ccccc1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is YXPSMDYSVHFYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-14(18)15-12-6-4-5-7-13(12)16-8-10-17(11-9-16)21(2,19)20/h4-7H,3,8-11H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide?
N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 311.41 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 2963709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).