N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide

C14H12F2N2O2S — CID 108573971

IUPACN-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C14H12F2N2O2S/c15-9-3-4-10(11(16)8-9)13(19)17-5-6-18-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6H2,(H,17,19)(H,18,20)
InChIKeyHSZLXSFTCPQTND-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.19
Rot. Bonds5

About N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 108573971) has the molecular formula C14H12F2N2O2S and a molecular weight of 310.32 g/mol. Its IUPAC name is N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
PubChem CID108573971
Molecular FormulaC14H12F2N2O2S
Molecular Weight310.32 g/mol
Exact Mass310.06
IUPAC NameN-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C14H12F2N2O2S/c15-9-3-4-10(11(16)8-9)13(19)17-5-6-18-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6H2,(H,17,19)(H,18,20)
InChIKeyHSZLXSFTCPQTND-UHFFFAOYSA-N
XLogP2.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,4-difluorophenyl)-thiophen-2-ylmethanone
CID 43160742
N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide
CID 62295549
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide
CID 133283504
2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336
2,4-difluoro-N-[3-oxo-3-[prop-2-enyl(thiophen-2-ylmethyl)amino]propyl]benzamide
CID 32769873
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571424
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide (CID 108573971) is N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide is O=C(NCCNC(=O)c1ccc(F)cc1F)c1cccs1.
What is the InChIKey of N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is HSZLXSFTCPQTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2S/c15-9-3-4-10(11(16)8-9)13(19)17-5-6-18-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide?
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 108573971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).