2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide

C12H13Br2NOS — CID 103839382

IUPAC2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1(C2CC2)CC1)c1cc(Br)sc1Br
InChIInChI=1S/C12H13Br2NOS/c13-9-5-8(10(14)17-9)11(16)15-6-12(3-4-12)7-1-2-7/h5,7H,1-4,6H2,(H,15,16)
InChIKeyFWDZJCQUFSVMIZ-UHFFFAOYSA-N
MW379.12 g/mol
LogP4.19
Rot. Bonds4

About 2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide

2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide (PubChem CID 103839382) has the molecular formula C12H13Br2NOS and a molecular weight of 379.12 g/mol. Its IUPAC name is 2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide
PubChem CID103839382
Molecular FormulaC12H13Br2NOS
Molecular Weight379.12 g/mol
Exact Mass376.91
IUPAC Name2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide
SMILESO=C(NCC1(C2CC2)CC1)c1cc(Br)sc1Br
InChIInChI=1S/C12H13Br2NOS/c13-9-5-8(10(14)17-9)11(16)15-6-12(3-4-12)7-1-2-7/h5,7H,1-4,6H2,(H,15,16)
InChIKeyFWDZJCQUFSVMIZ-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.12
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 107962266
5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103839294
2-[1-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103932825
2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide
CID 114096122
2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide
CID 107962287
2,5-dibromo-N-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide
CID 103881099
2,5-dibromo-N-[1-(bromomethyl)cyclopropyl]thiophene-3-carboxamide
CID 107966316
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
CID 113355829
5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 113352947
2,5-dibromo-N-[[2-(hydroxymethyl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 114021315
3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114096121
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
CID 103839324

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide (CID 103839382) is 2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide is O=C(NCC1(C2CC2)CC1)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide?
The InChIKey is FWDZJCQUFSVMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NOS/c13-9-5-8(10(14)17-9)11(16)15-6-12(3-4-12)7-1-2-7/h5,7H,1-4,6H2,(H,15,16).
What are the key properties of 2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide?
2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide has a molecular weight of 379.12 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 103839382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).