N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide

C13H14BrNOS2 — CID 32774203

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCc1ccc(Br)s1
InChIInChI=1S/C13H14BrNOS2/c14-12-7-6-11(18-12)9-15-13(16)5-1-3-10-4-2-8-17-10/h2,4,6-8H,1,3,5,9H2,(H,15,16)
InChIKeyGZLPDYIPBNVDFP-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.21
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide

N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide (PubChem CID 32774203) has the molecular formula C13H14BrNOS2 and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide
PubChem CID32774203
Molecular FormulaC13H14BrNOS2
Molecular Weight344.30 g/mol
Exact Mass342.97
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCc1ccc(Br)s1
InChIInChI=1S/C13H14BrNOS2/c14-12-7-6-11(18-12)9-15-13(16)5-1-3-10-4-2-8-17-10/h2,4,6-8H,1,3,5,9H2,(H,15,16)
InChIKeyGZLPDYIPBNVDFP-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]pentanamide
CID 60738185
N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide
CID 78861198
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897
N-[(5-bromothiophen-2-yl)methyl]-4-ethoxybutanamide
CID 112728063
5-amino-N-[(5-bromothiophen-2-yl)methyl]hexanamide
CID 82852008
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 4194172
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989
N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide (CID 32774203) is N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is GZLPDYIPBNVDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS2/c14-12-7-6-11(18-12)9-15-13(16)5-1-3-10-4-2-8-17-10/h2,4,6-8H,1,3,5,9H2,(H,15,16).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide?
N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 344.30 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 32774203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).