N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

C20H25N3O4S2 — CID 100609124

IUPACN-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C20H25N3O4S2/c1-6-23(12-19-21-20(22-27-19)17-8-7-9-28-17)29(24,25)18-11-15(13(2)3)16(26-5)10-14(18)4/h7-11,13H,6,12H2,1-5H3
InChIKeyGYHDRKHIEUCDCC-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.45
Rot. Bonds8

About N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 100609124) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID100609124
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC NameN-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C20H25N3O4S2/c1-6-23(12-19-21-20(22-27-19)17-8-7-9-28-17)29(24,25)18-11-15(13(2)3)16(26-5)10-14(18)4/h7-11,13H,6,12H2,1-5H3
InChIKeyGYHDRKHIEUCDCC-UHFFFAOYSA-N
XLogP4.45
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 53277887
N-[5-[ethyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100607019
4-methoxy-2-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323250
3-(2-methoxyphenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 86926216
2-chloro-N-[5-[ethyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100616679
2-(2,4-dimethylphenoxy)-N-ethyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132661088
2,4-dichloro-N-[5-[ethyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100651665
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134054629
2,5-dimethoxy-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323254
2-(3,4-dimethylphenoxy)-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 132658123
2-[ethyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-methylpropanoic acid
CID 62820836
2-methoxy-N-(2-methoxyethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 78807249

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 100609124) is N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is GYHDRKHIEUCDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c1-6-23(12-19-21-20(22-27-19)17-8-7-9-28-17)29(24,25)18-11-15(13(2)3)16(26-5)10-14(18)4/h7-11,13H,6,12H2,1-5H3.
What are the key properties of N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 435.57 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 100609124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).