N-[(5-bromothiophen-2-yl)methyl]pentanamide

C10H14BrNOS — CID 60738185

IUPACN-[(5-bromothiophen-2-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H14BrNOS/c1-2-3-4-10(13)12-7-8-5-6-9(11)14-8/h5-6H,2-4,7H2,1H3,(H,12,13)
InChIKeyDRKOLEVHQJEHFM-UHFFFAOYSA-N
MW276.20 g/mol
LogP3.32
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]pentanamide

N-[(5-bromothiophen-2-yl)methyl]pentanamide (PubChem CID 60738185) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]pentanamide
PubChem CID60738185
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H14BrNOS/c1-2-3-4-10(13)12-7-8-5-6-9(11)14-8/h5-6H,2-4,7H2,1H3,(H,12,13)
InChIKeyDRKOLEVHQJEHFM-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

5-[(5-bromothiophen-2-yl)methylamino]-5-oxopentanoic acid
CID 61011624
N-[(5-bromothiophen-2-yl)methyl]-5-hydroxypentanamide
CID 79210221
N-[(5-bromothiophen-2-yl)methyl]-4-ethoxybutanamide
CID 112728063
5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide
CID 82852008
tert-butyl N-[4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutyl]carbamate
CID 55590483
N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 32774203
1-[(5-bromothiophen-2-yl)methyl]-3-propylurea
CID 47218768
ethyl 3-[(5-bromothiophen-2-yl)methylamino]-3-oxopropanoate
CID 115138552
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290
N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide
CID 32776552

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]pentanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]pentanamide (CID 60738185) is N-[(5-bromothiophen-2-yl)methyl]pentanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]pentanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]pentanamide is CCCCC(=O)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]pentanamide?
The InChIKey is DRKOLEVHQJEHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-2-3-4-10(13)12-7-8-5-6-9(11)14-8/h5-6H,2-4,7H2,1H3,(H,12,13).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]pentanamide?
N-[(5-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-[(5-bromothiophen-2-yl)methyl]pentanamide is sourced from PubChem (CID 60738185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).