N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide

C17H22N4O3S2 — CID 120764100

IUPACN-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)s1
InChIInChI=1S/C17H22N4O3S2/c1-13(22)20-8-6-15-4-5-17(25-15)26(23,24)21-10-9-19-12-16(21)14-3-2-7-18-11-14/h2-5,7,11,16,19H,6,8-10,12H2,1H3,(H,20,22)
InChIKeyNTZILPBFONEIFZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.16
Rot. Bonds6

About N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide

N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide (PubChem CID 120764100) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide
PubChem CID120764100
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC NameN-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)s1
InChIInChI=1S/C17H22N4O3S2/c1-13(22)20-8-6-15-4-5-17(25-15)26(23,24)21-10-9-19-12-16(21)14-3-2-7-18-11-14/h2-5,7,11,16,19H,6,8-10,12H2,1H3,(H,20,22)
InChIKeyNTZILPBFONEIFZ-UHFFFAOYSA-N
XLogP1.16
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-ethylthiophen-2-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763986
N-[2-[5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 124625985
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835
N,N-dimethyl-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide
CID 120763731
1-(3-methyltriazol-4-yl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120876698
1-(furan-2-ylsulfonyl)-2-pyridin-3-ylpiperazine
CID 120876708
N-[2-[5-(piperidin-3-ylsulfamoyl)thiophen-2-yl]ethyl]acetamide
CID 119964284
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
N,N-diethyl-2-pyridin-3-ylpiperazine-1-sulfonamide
CID 120764052
ethyl 4-methyl-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzoate
CID 120763928
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide (CID 120764100) is N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)s1.
What is the InChIKey of N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide?
The InChIKey is NTZILPBFONEIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-13(22)20-8-6-15-4-5-17(25-15)26(23,24)21-10-9-19-12-16(21)14-3-2-7-18-11-14/h2-5,7,11,16,19H,6,8-10,12H2,1H3,(H,20,22).
What are the key properties of N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide?
N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylthiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 120764100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).