5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide

C12H14BrNOS — CID 103839294

IUPAC5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(C2CC2)CC1)c1ccc(Br)s1
InChIInChI=1S/C12H14BrNOS/c13-10-4-3-9(16-10)11(15)14-7-12(5-6-12)8-1-2-8/h3-4,8H,1-2,5-7H2,(H,14,15)
InChIKeyHDVYSFOETUMXQN-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.43
Rot. Bonds4

About 5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide

5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide (PubChem CID 103839294) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is 5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
PubChem CID103839294
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(C2CC2)CC1)c1ccc(Br)s1
InChIInChI=1S/C12H14BrNOS/c13-10-4-3-9(16-10)11(15)14-7-12(5-6-12)8-1-2-8/h3-4,8H,1-2,5-7H2,(H,14,15)
InChIKeyHDVYSFOETUMXQN-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1-cyclopropylcyclopropyl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 113352947
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364247
5-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 115271454
2,5-dibromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-3-carboxamide
CID 103839382
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
CID 107271657
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 120889009
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
CID 103839324
N-[(1-cyclopropylcyclopropyl)methyl]-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 103839322
5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 81483299
5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide
CID 97079031

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide (CID 103839294) is 5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide is O=C(NCC1(C2CC2)CC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide?
The InChIKey is HDVYSFOETUMXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c13-10-4-3-9(16-10)11(15)14-7-12(5-6-12)8-1-2-8/h3-4,8H,1-2,5-7H2,(H,14,15).
What are the key properties of 5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide?
5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide has a molecular weight of 300.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 103839294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).