N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C15H13F2N3O3S — CID 17478727

IUPACN-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2N3O3S/c16-10-4-3-9(6-11(10)17)20-14(22)8-18-13(21)7-19-15(23)12-2-1-5-24-12/h1-6H,7-8H2,(H,18,21)(H,19,23)(H,20,22)
InChIKeyHIXWXEOVRICULB-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.51
Rot. Bonds6

About N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 17478727) has the molecular formula C15H13F2N3O3S and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID17478727
Molecular FormulaC15H13F2N3O3S
Molecular Weight353.35 g/mol
Exact Mass353.06
IUPAC NameN-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2N3O3S/c16-10-4-3-9(6-11(10)17)20-14(22)8-18-13(21)7-19-15(23)12-2-1-5-24-12/h1-6H,7-8H2,(H,18,21)(H,19,23)(H,20,22)
InChIKeyHIXWXEOVRICULB-UHFFFAOYSA-N
XLogP1.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 17478727) is N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is HIXWXEOVRICULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3S/c16-10-4-3-9(6-11(10)17)20-14(22)8-18-13(21)7-19-15(23)12-2-1-5-24-12/h1-6H,7-8H2,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 17478727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).