N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide

C16H22N4O4S2 — CID 55980989

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1nc(C2(NC(=O)CNS(=O)(=O)c3cccs3)CCCCCC2)no1
InChIInChI=1S/C16H22N4O4S2/c1-12-18-15(20-24-12)16(8-4-2-3-5-9-16)19-13(21)11-17-26(22,23)14-7-6-10-25-14/h6-7,10,17H,2-5,8-9,11H2,1H3,(H,19,21)
InChIKeyIZNMKQQHOWFDAF-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.08
Rot. Bonds6

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 55980989) has the molecular formula C16H22N4O4S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID55980989
Molecular FormulaC16H22N4O4S2
Molecular Weight398.51 g/mol
Exact Mass398.11
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1nc(C2(NC(=O)CNS(=O)(=O)c3cccs3)CCCCCC2)no1
InChIInChI=1S/C16H22N4O4S2/c1-12-18-15(20-24-12)16(8-4-2-3-5-9-16)19-13(21)11-17-26(22,23)14-7-6-10-25-14/h6-7,10,17H,2-5,8-9,11H2,1H3,(H,19,21)
InChIKeyIZNMKQQHOWFDAF-UHFFFAOYSA-N
XLogP2.08
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methylamino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 119701756
N-ethyl-1-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 51123545
5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55980725
2-methyl-2-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545878
2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477
2-[[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-2-oxoethyl]amino]benzamide
CID 139010784
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71968872
3-(4-methoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]butanamide
CID 139009627
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
CID 166403701
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685
4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 60559839
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52559560

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide (CID 55980989) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide is Cc1nc(C2(NC(=O)CNS(=O)(=O)c3cccs3)CCCCCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is IZNMKQQHOWFDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S2/c1-12-18-15(20-24-12)16(8-4-2-3-5-9-16)19-13(21)11-17-26(22,23)14-7-6-10-25-14/h6-7,10,17H,2-5,8-9,11H2,1H3,(H,19,21).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 55980989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).