2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid

C24H25F3N4O4S — CID 175843411

IUPAC2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESNCCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CCN)cc3)s2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N4O2S.C2HF3O2/c23-13-11-15-1-5-17(6-2-15)25-21(27)19-9-10-20(29-19)22(28)26-18-7-3-16(4-8-18)12-14-24;3-2(4,5)1(6)7/h1-10H,11-14,23-24H2,(H,25,27)(H,26,28);(H,6,7)
InChIKeyCPEYCMBFFNKGNG-UHFFFAOYSA-N
MW522.55 g/mol
LogP3.89
Rot. Bonds8

About 2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid

2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175843411) has the molecular formula C24H25F3N4O4S and a molecular weight of 522.55 g/mol. Its IUPAC name is 2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid
PubChem CID175843411
Molecular FormulaC24H25F3N4O4S
Molecular Weight522.55 g/mol
Exact Mass522.15
IUPAC Name2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESNCCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CCN)cc3)s2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N4O2S.C2HF3O2/c23-13-11-15-1-5-17(6-2-15)25-21(27)19-9-10-20(29-19)22(28)26-18-7-3-16(4-8-18)12-14-24;3-2(4,5)1(6)7/h1-10H,11-14,23-24H2,(H,25,27)(H,26,28);(H,6,7)
InChIKeyCPEYCMBFFNKGNG-UHFFFAOYSA-N
XLogP3.89
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.55
LogP ≤ 53.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414555
N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103308990
1-[4-(2-aminoethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154675698
5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
CID 61222679
(1S)-2-[4-(2-aminoethyl)anilino]-1-phenylethanol;2,2,2-trifluoroacetic acid
CID 22986855
N-[4-(2-aminoethyl)phenyl]-2-hydroxybenzamide
CID 62303022
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-[4-(2-aminoethylsulfanyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 175769521
[5-(2-aminoethyl)-2-[[4-(3-aminopropyl)phenyl]carbamoyl]phenyl] 2,2,2-trifluoroacetate
CID 165118503
5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide
CID 61076019
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid (CID 175843411) is 2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid is NCCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CCN)cc3)s2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CPEYCMBFFNKGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S.C2HF3O2/c23-13-11-15-1-5-17(6-2-15)25-21(27)19-9-10-20(29-19)22(28)26-18-7-3-16(4-8-18)12-14-24;3-2(4,5)1(6)7/h1-10H,11-14,23-24H2,(H,25,27)(H,26,28);(H,6,7).
What are the key properties of 2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid?
2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 522.55 g/mol, XLogP of 3.89, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175843411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).