4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide

C15H12Br2N2O2S — CID 26905641

IUPAC4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H12Br2N2O2S/c16-10-7-12(22-13(10)17)15(21)19-11-4-2-1-3-9(11)14(20)18-8-5-6-8/h1-4,7-8H,5-6H2,(H,18,20)(H,19,21)
InChIKeyJHUBFRIHPRZLBU-UHFFFAOYSA-N
MW444.15 g/mol
LogP4.42
Rot. Bonds4

About 4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide

4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 26905641) has the molecular formula C15H12Br2N2O2S and a molecular weight of 444.15 g/mol. Its IUPAC name is 4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID26905641
Molecular FormulaC15H12Br2N2O2S
Molecular Weight444.15 g/mol
Exact Mass441.90
IUPAC Name4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H12Br2N2O2S/c16-10-7-12(22-13(10)17)15(21)19-11-4-2-1-3-9(11)14(20)18-8-5-6-8/h1-4,7-8H,5-6H2,(H,18,20)(H,19,21)
InChIKeyJHUBFRIHPRZLBU-UHFFFAOYSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.15
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate
CID 19205138
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
4-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34284736
5-bromo-N-[2-(cyclopropylcarbamoyl)phenyl]-2-iodobenzamide
CID 31303460
4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
CID 78906422
2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide
CID 74513688
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
4,5-dibromo-N-(1-cyclopropylpiperidin-4-yl)thiophene-2-carboxamide
CID 112725100
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
2-[(4,5-dibromothiophene-2-carbonyl)amino]-5-iodobenzoic acid
CID 63405667

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 26905641) is 4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is JHUBFRIHPRZLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O2S/c16-10-7-12(22-13(10)17)15(21)19-11-4-2-1-3-9(11)14(20)18-8-5-6-8/h1-4,7-8H,5-6H2,(H,18,20)(H,19,21).
What are the key properties of 4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide?
4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 444.15 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[2-(cyclopropylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 26905641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).