2-(4-bromothiophen-2-yl)-N-butylacetamide

C10H14BrNOS — CID 110769883

IUPAC2-(4-bromothiophen-2-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cc1cc(Br)cs1
InChIInChI=1S/C10H14BrNOS/c1-2-3-4-12-10(13)6-9-5-8(11)7-14-9/h5,7H,2-4,6H2,1H3,(H,12,13)
InChIKeyXTMFCSFOGUZHPY-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.97
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-N-butylacetamide

2-(4-bromothiophen-2-yl)-N-butylacetamide (PubChem CID 110769883) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-butylacetamide
PubChem CID110769883
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name2-(4-bromothiophen-2-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cc1cc(Br)cs1
InChIInChI=1S/C10H14BrNOS/c1-2-3-4-12-10(13)6-9-5-8(11)7-14-9/h5,7H,2-4,6H2,1H3,(H,12,13)
InChIKeyXTMFCSFOGUZHPY-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid
CID 82307146
1-(4-bromothiophen-2-yl)hexan-2-one
CID 79404796
2-(4-bromothiophen-2-yl)-N-iodoacetamide
CID 170238076
N-[(4-bromothiophen-2-yl)methyl]dodecanamide
CID 65426710
2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990658
2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115272124
1-(4-bromothiophen-2-yl)-4-(methylamino)butan-2-one
CID 116561191
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one
CID 116553807
2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 60691989
2-(4-bromothiophen-2-yl)-N-cyclopentylacetamide
CID 110769887

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-butylacetamide?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-butylacetamide (CID 110769883) is 2-(4-bromothiophen-2-yl)-N-butylacetamide.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-butylacetamide?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-butylacetamide is CCCCNC(=O)Cc1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-butylacetamide?
The InChIKey is XTMFCSFOGUZHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-2-3-4-12-10(13)6-9-5-8(11)7-14-9/h5,7H,2-4,6H2,1H3,(H,12,13).
What are the key properties of 2-(4-bromothiophen-2-yl)-N-butylacetamide?
2-(4-bromothiophen-2-yl)-N-butylacetamide has a molecular weight of 276.20 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-butylacetamide is sourced from PubChem (CID 110769883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).