N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide

C18H17N3O4S — CID 90607895

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccsc2-c2nc(C3CC3)no2)c(OC)c1
InChIInChI=1S/C18H17N3O4S/c1-23-11-5-6-12(14(9-11)24-2)17(22)19-13-7-8-26-15(13)18-20-16(21-25-18)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,19,22)
InChIKeyLEGDBECRCPHZGS-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.94
Rot. Bonds6

About N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide (PubChem CID 90607895) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide
PubChem CID90607895
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccsc2-c2nc(C3CC3)no2)c(OC)c1
InChIInChI=1S/C18H17N3O4S/c1-23-11-5-6-12(14(9-11)24-2)17(22)19-13-7-8-26-15(13)18-20-16(21-25-18)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,19,22)
InChIKeyLEGDBECRCPHZGS-UHFFFAOYSA-N
XLogP3.94
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(trifluoromethoxy)benzamide
CID 90608061
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-diethoxybenzamide
CID 90607900
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
CID 90607864
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607888
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyrimidine-2-carboxamide
CID 90608082
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(2-methoxyethyl)urea
CID 90608125
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide
CID 90607912
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]cyclopropanecarboxamide
CID 90607872
3-chloro-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607906
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-1H-indole-3-carboxamide
CID 90607986
3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607600
benzyl N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]carbamate
CID 90608057

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide (CID 90607895) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccsc2-c2nc(C3CC3)no2)c(OC)c1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide?
The InChIKey is LEGDBECRCPHZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-23-11-5-6-12(14(9-11)24-2)17(22)19-13-7-8-26-15(13)18-20-16(21-25-18)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide has a molecular weight of 371.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 90607895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).