N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide

C21H24N4O5S — CID 132673104

IUPACN-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCc1nc(-c2cccc(OC)c2)no1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H24N4O5S/c1-4-18(25(31(3,27)28)16-10-6-5-7-11-16)21(26)22-14-19-23-20(24-30-19)15-9-8-12-17(13-15)29-2/h5-13,18H,4,14H2,1-3H3,(H,22,26)
InChIKeyWTQYAUMMYSDDDC-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.61
Rot. Bonds9

About N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide

N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide (PubChem CID 132673104) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide
PubChem CID132673104
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC NameN-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCc1nc(-c2cccc(OC)c2)no1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H24N4O5S/c1-4-18(25(31(3,27)28)16-10-6-5-7-11-16)21(26)22-14-19-23-20(24-30-19)15-9-8-12-17(13-15)29-2/h5-13,18H,4,14H2,1-3H3,(H,22,26)
InChIKeyWTQYAUMMYSDDDC-UHFFFAOYSA-N
XLogP2.61
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-fluorophenoxy)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132658091
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-3-phenylcycloprop-2-ene-1-carboxamide
CID 171347624
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 133229418
(2S)-2-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)butanamide
CID 95118832
(2R)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100557677
N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83284747
2-(3-fluoro-N-methylsulfonylanilino)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132669480
N-[3-(2-chlorophenyl)propyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132671760
2-(N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53282926
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133235464
2-(3-methoxy-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]butanamide
CID 132670026
1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 100746710

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide (CID 132673104) is N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide is CCC(C(=O)NCc1nc(-c2cccc(OC)c2)no1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide?
The InChIKey is WTQYAUMMYSDDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-4-18(25(31(3,27)28)16-10-6-5-7-11-16)21(26)22-14-19-23-20(24-30-19)15-9-8-12-17(13-15)29-2/h5-13,18H,4,14H2,1-3H3,(H,22,26).
What are the key properties of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide?
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide has a molecular weight of 444.51 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132673104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).