N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide

C15H17N5O3S2 — CID 133387573

IUPACN-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide
SMILESCc1noc(-c2ccnc(NCCN(C)S(=O)(=O)c3cccs3)c2)n1
InChIInChI=1S/C15H17N5O3S2/c1-11-18-15(23-19-11)12-5-6-16-13(10-12)17-7-8-20(2)25(21,22)14-4-3-9-24-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyODLRUYNGZJECHG-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.23
Rot. Bonds7

About N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide

N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide (PubChem CID 133387573) has the molecular formula C15H17N5O3S2 and a molecular weight of 379.47 g/mol. Its IUPAC name is N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide
PubChem CID133387573
Molecular FormulaC15H17N5O3S2
Molecular Weight379.47 g/mol
Exact Mass379.08
IUPAC NameN-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide
SMILESCc1noc(-c2ccnc(NCCN(C)S(=O)(=O)c3cccs3)c2)n1
InChIInChI=1S/C15H17N5O3S2/c1-11-18-15(23-19-11)12-5-6-16-13(10-12)17-7-8-20(2)25(21,22)14-4-3-9-24-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyODLRUYNGZJECHG-UHFFFAOYSA-N
XLogP2.23
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387741
N-[2-[(1-chloroisoquinolin-3-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387627
N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133387661
N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide
CID 47059713
N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide
CID 120971740
N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide
CID 133387653
2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383095
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]pyridin-2-amine
CID 133405841
N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 134711406
N-methyl-N-[2-[[3-[(3-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]thiophene-2-sulfonamide
CID 66878303
N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133387693
N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387641

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide (CID 133387573) is N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide is Cc1noc(-c2ccnc(NCCN(C)S(=O)(=O)c3cccs3)c2)n1.
What is the InChIKey of N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is ODLRUYNGZJECHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S2/c1-11-18-15(23-19-11)12-5-6-16-13(10-12)17-7-8-20(2)25(21,22)14-4-3-9-24-14/h3-6,9-10H,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 379.47 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133387573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).