N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide

C20H26N4O3S2 — CID 53041590

IUPACN-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCCc1nc(-c2cc(S(=O)(=O)Nc3ccc(N(CC)CC)cc3C)c(C)s2)no1
InChIInChI=1S/C20H26N4O3S2/c1-6-19-21-20(22-27-19)17-12-18(14(5)28-17)29(25,26)23-16-10-9-15(11-13(16)4)24(7-2)8-3/h9-12,23H,6-8H2,1-5H3
InChIKeyGXXLFIANPSUWBT-UHFFFAOYSA-N
MW434.59 g/mol
LogP4.62
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide

N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide (PubChem CID 53041590) has the molecular formula C20H26N4O3S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
PubChem CID53041590
Molecular FormulaC20H26N4O3S2
Molecular Weight434.59 g/mol
Exact Mass434.14
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
SMILESCCc1nc(-c2cc(S(=O)(=O)Nc3ccc(N(CC)CC)cc3C)c(C)s2)no1
InChIInChI=1S/C20H26N4O3S2/c1-6-19-21-20(22-27-19)17-12-18(14(5)28-17)29(25,26)23-16-10-9-15(11-13(16)4)24(7-2)8-3/h9-12,23H,6-8H2,1-5H3
InChIKeyGXXLFIANPSUWBT-UHFFFAOYSA-N
XLogP4.62
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53041567
N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide
CID 3863600
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide
CID 53004910
N-(2-fluorophenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-3-sulfonamide
CID 53041479
N-(4-fluoro-2-methylphenyl)-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821747
2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46332101
N-(2,4-dimethylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126534
N-cyclopentyl-2-[[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylamino]acetamide
CID 50788736
N-(2,4-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042061
N-(4-chloro-2-methylphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126506
4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide
CID 1020031
N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113098997

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide (CID 53041590) is N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide is CCc1nc(-c2cc(S(=O)(=O)Nc3ccc(N(CC)CC)cc3C)c(C)s2)no1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
The InChIKey is GXXLFIANPSUWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S2/c1-6-19-21-20(22-27-19)17-12-18(14(5)28-17)29(25,26)23-16-10-9-15(11-13(16)4)24(7-2)8-3/h9-12,23H,6-8H2,1-5H3.
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide?
N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide has a molecular weight of 434.59 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 53041590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).