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

C18H20N4O4S2 — CID 132666214

IUPACN-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(C(=O)N(C)Cc1nc(-c2cccs2)no1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H20N4O4S2/c1-13(22(28(3,24)25)14-8-5-4-6-9-14)18(23)21(2)12-16-19-17(20-26-16)15-10-7-11-27-15/h4-11,13H,12H2,1-3H3
InChIKeyADLKRTSDFQGRSY-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.61
Rot. Bonds7

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

N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 132666214) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID132666214
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC NameN-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCC(C(=O)N(C)Cc1nc(-c2cccs2)no1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H20N4O4S2/c1-13(22(28(3,24)25)14-8-5-4-6-9-14)18(23)21(2)12-16-19-17(20-26-16)15-10-7-11-27-15/h4-11,13H,12H2,1-3H3
InChIKeyADLKRTSDFQGRSY-UHFFFAOYSA-N
XLogP2.61
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 132668373
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide
CID 132674600
2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132669482
2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 55096844
1-[N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]propan-2-ol
CID 51106348
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(N-methylsulfonylanilino)propanamide
CID 131898274
N-methyl-2-phenylsulfanyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50874859
2-(4-tert-butylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132661093
(2R)-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 100742857
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 53277887
2-benzylsulfanyl-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50874795
N-methyl-1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50946857

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 132666214) is N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CC(C(=O)N(C)Cc1nc(-c2cccs2)no1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is ADLKRTSDFQGRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c1-13(22(28(3,24)25)14-8-5-4-6-9-14)18(23)21(2)12-16-19-17(20-26-16)15-10-7-11-27-15/h4-11,13H,12H2,1-3H3.
What are the key properties of N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 420.52 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 132666214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).