N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide

C14H14F2N4O4S — CID 47076940

IUPACN-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2nnc(C(F)F)s2)cc1OC
InChIInChI=1S/C14H14F2N4O4S/c1-23-8-4-3-7(5-9(8)24-2)12(22)17-6-10(21)18-14-20-19-13(25-14)11(15)16/h3-5,11H,6H2,1-2H3,(H,17,22)(H,18,20,21)
InChIKeyKDLSPKFBKUSDCY-UHFFFAOYSA-N
MW372.35 g/mol
LogP1.86
Rot. Bonds7

About N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 47076940) has the molecular formula C14H14F2N4O4S and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID47076940
Molecular FormulaC14H14F2N4O4S
Molecular Weight372.35 g/mol
Exact Mass372.07
IUPAC NameN-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2nnc(C(F)F)s2)cc1OC
InChIInChI=1S/C14H14F2N4O4S/c1-23-8-4-3-7(5-9(8)24-2)12(22)17-6-10(21)18-14-20-19-13(25-14)11(15)16/h3-5,11H,6H2,1-2H3,(H,17,22)(H,18,20,21)
InChIKeyKDLSPKFBKUSDCY-UHFFFAOYSA-N
XLogP1.86
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 134706263
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46665369
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27256468
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112996997
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26637470
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 27739745
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 47076938

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 47076940) is N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)Nc2nnc(C(F)F)s2)cc1OC.
What is the InChIKey of N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is KDLSPKFBKUSDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O4S/c1-23-8-4-3-7(5-9(8)24-2)12(22)17-6-10(21)18-14-20-19-13(25-14)11(15)16/h3-5,11H,6H2,1-2H3,(H,17,22)(H,18,20,21).
What are the key properties of N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 372.35 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 47076940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).