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

C16H22N4O4S2 — CID 50788736

IUPACN-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide
SMILESCCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCC3)c(C)s2)no1
InChIInChI=1S/C16H22N4O4S2/c1-3-15-19-16(20-24-15)12-8-13(10(2)25-12)26(22,23)17-9-14(21)18-11-6-4-5-7-11/h8,11,17H,3-7,9H2,1-2H3,(H,18,21)
InChIKeyKYMDSMJVIWHYQZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.01
Rot. Bonds7

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

N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide (PubChem CID 50788736) has the molecular formula C16H22N4O4S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide
PubChem CID50788736
Molecular FormulaC16H22N4O4S2
Molecular Weight398.51 g/mol
Exact Mass398.11
IUPAC NameN-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide
SMILESCCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCC3)c(C)s2)no1
InChIInChI=1S/C16H22N4O4S2/c1-3-15-19-16(20-24-15)12-8-13(10(2)25-12)26(22,23)17-9-14(21)18-11-6-4-5-7-11/h8,11,17H,3-7,9H2,1-2H3,(H,18,21)
InChIKeyKYMDSMJVIWHYQZ-UHFFFAOYSA-N
XLogP2.01
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042448
2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46332101
N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53007063
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid
CID 92863922
5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041556
N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041567
ethyl 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxylate
CID 53041550
[(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 93058356
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323990
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53042063
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075495
[(3S)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 93068355

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide?
The IUPAC name of N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide (CID 50788736) is N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide is CCc1nc(-c2cc(S(=O)(=O)NCC(=O)NC3CCCC3)c(C)s2)no1.
What is the InChIKey of N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide?
The InChIKey is KYMDSMJVIWHYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S2/c1-3-15-19-16(20-24-15)12-8-13(10(2)25-12)26(22,23)17-9-14(21)18-11-6-4-5-7-11/h8,11,17H,3-7,9H2,1-2H3,(H,18,21).
What are the key properties of N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide?
N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide is sourced from PubChem (CID 50788736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).