2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

C16H18N4O4S3 — CID 46332101

IUPAC2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3cccs3)c(C)s2)no1
InChIInChI=1S/C16H18N4O4S3/c1-3-15-19-16(20-24-15)12-7-13(10(2)26-12)27(22,23)18-9-14(21)17-8-11-5-4-6-25-11/h4-7,18H,3,8-9H2,1-2H3,(H,17,21)
InChIKeyMENRLWNFZSFBRK-UHFFFAOYSA-N
MW426.55 g/mol
LogP2.33
Rot. Bonds8

About 2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 46332101) has the molecular formula C16H18N4O4S3 and a molecular weight of 426.55 g/mol. Its IUPAC name is 2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID46332101
Molecular FormulaC16H18N4O4S3
Molecular Weight426.55 g/mol
Exact Mass426.05
IUPAC Name2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3cccs3)c(C)s2)no1
InChIInChI=1S/C16H18N4O4S3/c1-3-15-19-16(20-24-15)12-7-13(10(2)26-12)27(22,23)18-9-14(21)17-8-11-5-4-6-25-11/h4-7,18H,3,8-9H2,1-2H3,(H,17,21)
InChIKeyMENRLWNFZSFBRK-UHFFFAOYSA-N
XLogP2.33
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide
CID 50788736
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 53056993
2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 50822038
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 50821694
N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041567
N-ethyl-5-methyl-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6503006
N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041590
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53004910
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
CID 53042299
3-(benzenesulfonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 110310602
5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 6503046
5-ethyl-3-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041558

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 46332101) is 2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NCc3cccs3)c(C)s2)no1.
What is the InChIKey of 2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MENRLWNFZSFBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S3/c1-3-15-19-16(20-24-15)12-7-13(10(2)26-12)27(22,23)18-9-14(21)17-8-11-5-4-6-25-11/h4-7,18H,3,8-9H2,1-2H3,(H,17,21).
What are the key properties of 2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 426.55 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 46332101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).