N-[(3-bromothiophen-2-yl)methyl]pentanamide

C10H14BrNOS — CID 78986100

IUPACN-[(3-bromothiophen-2-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1sccc1Br
InChIInChI=1S/C10H14BrNOS/c1-2-3-4-10(13)12-7-9-8(11)5-6-14-9/h5-6H,2-4,7H2,1H3,(H,12,13)
InChIKeyJAAGIBJXDOYDRM-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.32
Rot. Bonds5

About N-[(3-bromothiophen-2-yl)methyl]pentanamide

N-[(3-bromothiophen-2-yl)methyl]pentanamide (PubChem CID 78986100) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]pentanamide
PubChem CID78986100
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1sccc1Br
InChIInChI=1S/C10H14BrNOS/c1-2-3-4-10(13)12-7-9-8(11)5-6-14-9/h5-6H,2-4,7H2,1H3,(H,12,13)
InChIKeyJAAGIBJXDOYDRM-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
CID 78986182
N-[(3-bromothiophen-2-yl)methyl]-3-methylbut-2-enamide
CID 78986047
3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 81079533
N-[(3-bromothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 113228461
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 78985898
N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
N-[(3-bromothiophen-2-yl)methyl]-3,5,5-trimethylhexanamide
CID 78985808
4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide
CID 103156291
N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 78986110
methyl 2-[(3-bromothiophen-2-yl)methylamino]hexanoate
CID 103868448
3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 113460610

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]pentanamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]pentanamide (CID 78986100) is N-[(3-bromothiophen-2-yl)methyl]pentanamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]pentanamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]pentanamide is CCCCC(=O)NCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]pentanamide?
The InChIKey is JAAGIBJXDOYDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-2-3-4-10(13)12-7-9-8(11)5-6-14-9/h5-6H,2-4,7H2,1H3,(H,12,13).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]pentanamide?
N-[(3-bromothiophen-2-yl)methyl]pentanamide has a molecular weight of 276.20 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]pentanamide is sourced from PubChem (CID 78986100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).