4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide

C20H22N4O6S2 — CID 55491832

IUPAC4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
SMILESCc1nc(COc2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)no1
InChIInChI=1S/C20H22N4O6S2/c1-14-22-18(23-30-14)13-29-16-4-2-15(3-5-16)20(25)21-12-17-6-7-19(31-17)32(26,27)24-8-10-28-11-9-24/h2-7H,8-13H2,1H3,(H,21,25)
InChIKeyGYYNCLSRNZAUCU-UHFFFAOYSA-N
MW478.55 g/mol
LogP1.97
Rot. Bonds8

About 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide (PubChem CID 55491832) has the molecular formula C20H22N4O6S2 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
PubChem CID55491832
Molecular FormulaC20H22N4O6S2
Molecular Weight478.55 g/mol
Exact Mass478.10
IUPAC Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
SMILESCc1nc(COc2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)no1
InChIInChI=1S/C20H22N4O6S2/c1-14-22-18(23-30-14)13-29-16-4-2-15(3-5-16)20(25)21-12-17-6-7-19(31-17)32(26,27)24-8-10-28-11-9-24/h2-7H,8-13H2,1H3,(H,21,25)
InChIKeyGYYNCLSRNZAUCU-UHFFFAOYSA-N
XLogP1.97
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide
CID 32742505
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 41322705
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 56551658
N-[(1S)-1-cyclopropylethyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 32893352
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55499668

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide (CID 55491832) is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide is Cc1nc(COc2ccc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)s3)cc2)no1.
What is the InChIKey of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide?
The InChIKey is GYYNCLSRNZAUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O6S2/c1-14-22-18(23-30-14)13-29-16-4-2-15(3-5-16)20(25)21-12-17-6-7-19(31-17)32(26,27)24-8-10-28-11-9-24/h2-7H,8-13H2,1H3,(H,21,25).
What are the key properties of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide?
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide has a molecular weight of 478.55 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 55491832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).