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

C15H13Br2NOS — CID 112723097

IUPAC4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H13Br2NOS/c16-11-8-12(20-14(11)17)15(19)18-13(10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10,13H,6-7H2,(H,18,19)
InChIKeyUZNXYTRAYPCWEP-UHFFFAOYSA-N
MW415.15 g/mol
LogP5.15
Rot. Bonds4

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

4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide (PubChem CID 112723097) has the molecular formula C15H13Br2NOS and a molecular weight of 415.15 g/mol. Its IUPAC name is 4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide
PubChem CID112723097
Molecular FormulaC15H13Br2NOS
Molecular Weight415.15 g/mol
Exact Mass412.91
IUPAC Name4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H13Br2NOS/c16-11-8-12(20-14(11)17)15(19)18-13(10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10,13H,6-7H2,(H,18,19)
InChIKeyUZNXYTRAYPCWEP-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.15
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide
CID 31030719
(2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid
CID 61144895
4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80534165
2-bromo-N-[(S)-cyclopentyl(phenyl)methyl]benzamide
CID 985964
3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide
CID 103982987
N-[cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 87384206
N-[(R)-cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94001737
N-[cyclopropyl(phenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 75460706
2-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 61265413
5-chloro-N-[phenyl(piperidin-4-yl)methyl]thiophene-2-carboxamide
CID 137372987
N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 51295877
4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 43037303

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide (CID 112723097) is 4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide is O=C(NC(c1ccccc1)C1CC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide?
The InChIKey is UZNXYTRAYPCWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NOS/c16-11-8-12(20-14(11)17)15(19)18-13(10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10,13H,6-7H2,(H,18,19).
What are the key properties of 4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide?
4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide has a molecular weight of 415.15 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 112723097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).