5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide

C19H19FN4O3S — CID 56547374

IUPAC5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)no1
InChIInChI=1S/C19H19FN4O3S/c1-10-8-14(22-16(25)12-6-5-7-13(20)9-12)28-15(10)17(26)23-19(3,4)18-21-11(2)27-24-18/h5-9H,1-4H3,(H,22,25)(H,23,26)
InChIKeyOGYUJTUNFDFBKY-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.80
Rot. Bonds5

About 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide

5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 56547374) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
PubChem CID56547374
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)no1
InChIInChI=1S/C19H19FN4O3S/c1-10-8-14(22-16(25)12-6-5-7-13(20)9-12)28-15(10)17(26)23-19(3,4)18-21-11(2)27-24-18/h5-9H,1-4H3,(H,22,25)(H,23,26)
InChIKeyOGYUJTUNFDFBKY-UHFFFAOYSA-N
XLogP3.80
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide (CID 56547374) is 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide is Cc1nc(C(C)(C)NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)no1.
What is the InChIKey of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is OGYUJTUNFDFBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-10-8-14(22-16(25)12-6-5-7-13(20)9-12)28-15(10)17(26)23-19(3,4)18-21-11(2)27-24-18/h5-9H,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide?
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 56547374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).