N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide

C13H21N3O3S2 — CID 119964284

IUPACN-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)NC2CCCNC2)s1
InChIInChI=1S/C13H21N3O3S2/c1-10(17)15-8-6-12-4-5-13(20-12)21(18,19)16-11-3-2-7-14-9-11/h4-5,11,14,16H,2-3,6-9H2,1H3,(H,15,17)
InChIKeyJEJTYFCPLCWBHF-UHFFFAOYSA-N
MW331.46 g/mol
LogP0.46
Rot. Bonds6

About N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide

N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide (PubChem CID 119964284) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide
PubChem CID119964284
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC NameN-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)NC2CCCNC2)s1
InChIInChI=1S/C13H21N3O3S2/c1-10(17)15-8-6-12-4-5-13(20-12)21(18,19)16-11-3-2-7-14-9-11/h4-5,11,14,16H,2-3,6-9H2,1H3,(H,15,17)
InChIKeyJEJTYFCPLCWBHF-UHFFFAOYSA-N
XLogP0.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 124625985
N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride
CID 119994670
3-methyl-N-[2-[5-[(3-methylpiperidin-4-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride
CID 120725028
N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide
CID 120764100
N-[2-[5-[piperidin-4-yl(propyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 119993872
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741
N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119980807
N-[2-[5-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119988770
(2R,3R)-1-[5-(2-acetamidoethyl)thiophen-2-yl]sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105300
3-methyl-N-[2-[5-[(2-methylpiperidin-3-yl)sulfamoyl]thiophen-2-yl]ethyl]butanamide;hydrochloride
CID 120726632
N-[2-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119987630
N-[2-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119989352

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide (CID 119964284) is N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(S(=O)(=O)NC2CCCNC2)s1.
What is the InChIKey of N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide?
The InChIKey is JEJTYFCPLCWBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-10(17)15-8-6-12-4-5-13(20-12)21(18,19)16-11-3-2-7-14-9-11/h4-5,11,14,16H,2-3,6-9H2,1H3,(H,15,17).
What are the key properties of N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide?
N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 119964284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).