N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide

C17H24N4O3S2 — CID 20949593

IUPACN-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESCc1ccsc1CCNC(=O)Cn1cnc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24N4O3S2/c1-14-6-10-25-15(14)5-7-18-16(22)11-20-12-17(19-13-20)26(23,24)21-8-3-2-4-9-21/h6,10,12-13H,2-5,7-9,11H2,1H3,(H,18,22)
InChIKeyGIAPFRUUVKEDEY-UHFFFAOYSA-N
MW396.54 g/mol
LogP1.79
Rot. Bonds7

About N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide

N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 20949593) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID20949593
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC NameN-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESCc1ccsc1CCNC(=O)Cn1cnc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24N4O3S2/c1-14-6-10-25-15(14)5-7-18-16(22)11-20-12-17(19-13-20)26(23,24)21-8-3-2-4-9-21/h6,10,12-13H,2-5,7-9,11H2,1H3,(H,18,22)
InChIKeyGIAPFRUUVKEDEY-UHFFFAOYSA-N
XLogP1.79
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 20949593) is N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide is Cc1ccsc1CCNC(=O)Cn1cnc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is GIAPFRUUVKEDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-14-6-10-25-15(14)5-7-18-16(22)11-20-12-17(19-13-20)26(23,24)21-8-3-2-4-9-21/h6,10,12-13H,2-5,7-9,11H2,1H3,(H,18,22).
What are the key properties of N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 396.54 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylthiophen-2-yl)ethyl]-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 20949593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).