2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide

C18H12Br2N2O2S — CID 23881595

IUPAC2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(C(=O)Nc2cccc(Br)c2)s1
InChIInChI=1S/C18H12Br2N2O2S/c19-11-3-1-5-13(9-11)21-17(23)15-7-8-16(25-15)18(24)22-14-6-2-4-12(20)10-14/h1-10H,(H,21,23)(H,22,24)
InChIKeyLRNLROCKIOJQAA-UHFFFAOYSA-N
MW480.18 g/mol
LogP5.78
Rot. Bonds4

About 2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide

2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide (PubChem CID 23881595) has the molecular formula C18H12Br2N2O2S and a molecular weight of 480.18 g/mol. Its IUPAC name is 2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
PubChem CID23881595
Molecular FormulaC18H12Br2N2O2S
Molecular Weight480.18 g/mol
Exact Mass477.90
IUPAC Name2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(C(=O)Nc2cccc(Br)c2)s1
InChIInChI=1S/C18H12Br2N2O2S/c19-11-3-1-5-13(9-11)21-17(23)15-7-8-16(25-15)18(24)22-14-6-2-4-12(20)10-14/h1-10H,(H,21,23)(H,22,24)
InChIKeyLRNLROCKIOJQAA-UHFFFAOYSA-N
XLogP5.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.18
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733182
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
5-amino-N-(3-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616226
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
5-bromo-N-[3-(propanoylamino)phenyl]thiophene-2-carboxamide
CID 46568246
5-bromo-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
CID 42236342
5-(phenylcarbamoyl)thiophene-2-carboxylic acid
CID 43414375
N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide (CID 23881595) is 2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide is O=C(Nc1cccc(Br)c1)c1ccc(C(=O)Nc2cccc(Br)c2)s1.
What is the InChIKey of 2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide?
The InChIKey is LRNLROCKIOJQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2N2O2S/c19-11-3-1-5-13(9-11)21-17(23)15-7-8-16(25-15)18(24)22-14-6-2-4-12(20)10-14/h1-10H,(H,21,23)(H,22,24).
What are the key properties of 2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide?
2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide has a molecular weight of 480.18 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(3-bromophenyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 23881595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).