N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide

C17H17F2N3O3S — CID 24981530

IUPACN-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C17H17F2N3O3S/c1-2-22(15(24)9-20-17(25)13-7-4-8-26-13)10-14(23)21-16-11(18)5-3-6-12(16)19/h3-8H,2,9-10H2,1H3,(H,20,25)(H,21,23)
InChIKeyBVFAKICZYWFWRZ-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.24
Rot. Bonds7

About N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 24981530) has the molecular formula C17H17F2N3O3S and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID24981530
Molecular FormulaC17H17F2N3O3S
Molecular Weight381.40 g/mol
Exact Mass381.10
IUPAC NameN-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1cccs1
InChIInChI=1S/C17H17F2N3O3S/c1-2-22(15(24)9-20-17(25)13-7-4-8-26-13)10-14(23)21-16-11(18)5-3-6-12(16)19/h3-8H,2,9-10H2,1H3,(H,20,25)(H,21,23)
InChIKeyBVFAKICZYWFWRZ-UHFFFAOYSA-N
XLogP2.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 24981530) is N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is BVFAKICZYWFWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3S/c1-2-22(15(24)9-20-17(25)13-7-4-8-26-13)10-14(23)21-16-11(18)5-3-6-12(16)19/h3-8H,2,9-10H2,1H3,(H,20,25)(H,21,23).
What are the key properties of N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24981530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).