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

C14H13Br2N3O2S — CID 71684807

IUPAC4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)c(Br)s1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H13Br2N3O2S/c1-7(8-2-4-9(5-3-8)19-14(17)21)18-13(20)11-6-10(15)12(16)22-11/h2-7H,1H3,(H,18,20)(H3,17,19,21)
InChIKeyCMRBQGWIUOFRMR-UHFFFAOYSA-N
MW447.15 g/mol
LogP4.25
Rot. Bonds4

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

4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide (PubChem CID 71684807) has the molecular formula C14H13Br2N3O2S and a molecular weight of 447.15 g/mol. Its IUPAC name is 4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
PubChem CID71684807
Molecular FormulaC14H13Br2N3O2S
Molecular Weight447.15 g/mol
Exact Mass444.91
IUPAC Name4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)c(Br)s1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H13Br2N3O2S/c1-7(8-2-4-9(5-3-8)19-14(17)21)18-13(20)11-6-10(15)12(16)22-11/h2-7H,1H3,(H,18,20)(H3,17,19,21)
InChIKeyCMRBQGWIUOFRMR-UHFFFAOYSA-N
XLogP4.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.15
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 55584438
4,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]thiophene-2-carboxamide
CID 80536523
4,5-dibromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-carboxamide
CID 47161738
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 47034489
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide
CID 106852997
4-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 87011236
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55963207
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617996
4,5-dibromo-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 42119588
4,5-dibromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-carboxamide
CID 55360616
5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 79988999
4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 4843233

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide (CID 71684807) is 4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide is CC(NC(=O)c1cc(Br)c(Br)s1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide?
The InChIKey is CMRBQGWIUOFRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3O2S/c1-7(8-2-4-9(5-3-8)19-14(17)21)18-13(20)11-6-10(15)12(16)22-11/h2-7H,1H3,(H,18,20)(H3,17,19,21).
What are the key properties of 4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide?
4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide has a molecular weight of 447.15 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71684807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).