N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide

C16H21N3O4S — CID 47790503

IUPACN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C16H21N3O4S/c1-24(21,22)19-10-8-18(9-11-19)7-6-17-16(20)15-12-13-4-2-3-5-14(13)23-15/h2-5,12H,6-11H2,1H3,(H,17,20)
InChIKeyFXMLIRLRNLWEIJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.74
Rot. Bonds5

About N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide

N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 47790503) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID47790503
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)N1CCN(CCNC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C16H21N3O4S/c1-24(21,22)19-10-8-18(9-11-19)7-6-17-16(20)15-12-13-4-2-3-5-14(13)23-15/h2-5,12H,6-11H2,1H3,(H,17,20)
InChIKeyFXMLIRLRNLWEIJ-UHFFFAOYSA-N
XLogP0.74
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 29196259
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]-1-benzofuran-2-carboxamide
CID 25285444
N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41136212
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1-benzofuran-2-carboxamide
CID 16825869
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90649233
benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397607
3-fluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790572
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790621
3-[4-[4-(1-benzofuran-2-carbonylamino)butyl]piperazin-1-yl]benzoic acid
CID 11611517
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-2-carboxamide
CID 6460423
phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397608

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide (CID 47790503) is N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide is CS(=O)(=O)N1CCN(CCNC(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is FXMLIRLRNLWEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-24(21,22)19-10-8-18(9-11-19)7-6-17-16(20)15-12-13-4-2-3-5-14(13)23-15/h2-5,12H,6-11H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47790503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).