5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide

C10H12BrNOS — CID 33372780

IUPAC5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCC1)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNOS/c11-9-5-4-8(14-9)10(13)12-6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,13)
InChIKeyPEDKJBRUHQIQAE-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.04
Rot. Bonds3

About 5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide

5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide (PubChem CID 33372780) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is 5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
PubChem CID33372780
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCC1)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNOS/c11-9-5-4-8(14-9)10(13)12-6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,13)
InChIKeyPEDKJBRUHQIQAE-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[[(2S)-thiolan-2-yl]methyl]thiophene-2-carboxamide
CID 97079031
5-bromo-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119513668
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
5-bromo-N-cyclopentyloxythiophene-2-carboxamide
CID 83202790
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978
5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 81483299
5-bromo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 35201071
4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
CID 78906806
5-bromo-N-(2-hydroxycyclohexyl)thiophene-2-carboxamide
CID 62360157
5-bromo-N-[(1-cyclopropylcyclopropyl)methyl]thiophene-2-carboxamide
CID 103839294
N-[(3-bromocyclohexyl)methyl]-5-nitrothiophene-2-carboxamide
CID 106132688
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide (CID 33372780) is 5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide is O=C(NCC1CCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide?
The InChIKey is PEDKJBRUHQIQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c11-9-5-4-8(14-9)10(13)12-6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,13).
What are the key properties of 5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide?
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide has a molecular weight of 274.18 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 33372780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).