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

C20H22N4O3S2 — CID 2998244

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccs2)o1)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H22N4O3S2/c25-18(14-29-20-23-22-19(27-20)17-7-4-10-28-17)21-11-16-13-24(8-9-26-16)12-15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2,(H,21,25)
InChIKeyAVMMEXNHMBAVLD-UHFFFAOYSA-N
MW430.56 g/mol
LogP2.91
Rot. Bonds8

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

N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 2998244) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID2998244
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccs2)o1)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H22N4O3S2/c25-18(14-29-20-23-22-19(27-20)17-7-4-10-28-17)21-11-16-13-24(8-9-26-16)12-15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2,(H,21,25)
InChIKeyAVMMEXNHMBAVLD-UHFFFAOYSA-N
XLogP2.91
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 2998244) is N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccs2)o1)NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is AVMMEXNHMBAVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c25-18(14-29-20-23-22-19(27-20)17-7-4-10-28-17)21-11-16-13-24(8-9-26-16)12-15-5-2-1-3-6-15/h1-7,10,16H,8-9,11-14H2,(H,21,25).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 430.56 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2998244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).