5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide

C10H14BrNO2S2 — CID 115729394

IUPAC5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
SMILESCC(CCNC(=O)c1ccc(Br)s1)S(C)=O
InChIInChI=1S/C10H14BrNO2S2/c1-7(16(2)14)5-6-12-10(13)8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyZOMGPEQWUYDMNJ-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.40
Rot. Bonds5

About 5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide

5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide (PubChem CID 115729394) has the molecular formula C10H14BrNO2S2 and a molecular weight of 324.27 g/mol. Its IUPAC name is 5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
PubChem CID115729394
Molecular FormulaC10H14BrNO2S2
Molecular Weight324.27 g/mol
Exact Mass322.96
IUPAC Name5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
SMILESCC(CCNC(=O)c1ccc(Br)s1)S(C)=O
InChIInChI=1S/C10H14BrNO2S2/c1-7(16(2)14)5-6-12-10(13)8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyZOMGPEQWUYDMNJ-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438
5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82010230
5-bromo-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115627914
3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
CID 71847384
5-methyl-N-(3-methylsulfinylbutyl)-4-sulfamoylthiophene-2-carboxamide
CID 115729501
4-bromo-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)benzamide
CID 103925344
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
3-bromo-5-methyl-N-[(3S)-3-[(S)-methylsulfinyl]butyl]benzamide
CID 99626128
3-bromo-5-methyl-N-[(3S)-3-[(R)-methylsulfinyl]butyl]benzamide
CID 99626131

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide (CID 115729394) is 5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide is CC(CCNC(=O)c1ccc(Br)s1)S(C)=O.
What is the InChIKey of 5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide?
The InChIKey is ZOMGPEQWUYDMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S2/c1-7(16(2)14)5-6-12-10(13)8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide?
5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide has a molecular weight of 324.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 115729394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).