4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide

C17H16Br2N2O2S — CID 55584438

IUPAC4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)c(Br)s1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H16Br2N2O2S/c1-9(20-17(23)14-8-13(18)15(19)24-14)10-4-6-12(7-5-10)21-16(22)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,23)(H,21,22)
InChIKeyJOFRTHNIQZHJOS-UHFFFAOYSA-N
MW472.20 g/mol
LogP5.11
Rot. Bonds5

About 4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide

4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide (PubChem CID 55584438) has the molecular formula C17H16Br2N2O2S and a molecular weight of 472.20 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide
PubChem CID55584438
Molecular FormulaC17H16Br2N2O2S
Molecular Weight472.20 g/mol
Exact Mass469.93
IUPAC Name4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)c(Br)s1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H16Br2N2O2S/c1-9(20-17(23)14-8-13(18)15(19)24-14)10-4-6-12(7-5-10)21-16(22)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,23)(H,21,22)
InChIKeyJOFRTHNIQZHJOS-UHFFFAOYSA-N
XLogP5.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.20
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 71684807
4,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]thiophene-2-carboxamide
CID 80536523
4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 134021153
4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide
CID 47161738
3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
CID 46475324
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
4,5-dibromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-carboxamide
CID 55360616
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 38612575
4,5-dibromo-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 42119588
5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 25487382

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide (CID 55584438) is 4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide is CC(NC(=O)c1cc(Br)c(Br)s1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide?
The InChIKey is JOFRTHNIQZHJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O2S/c1-9(20-17(23)14-8-13(18)15(19)24-14)10-4-6-12(7-5-10)21-16(22)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide?
4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide has a molecular weight of 472.20 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55584438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).