3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide

C10H14BrNO3S — CID 131963103

IUPAC3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide
SMILESO=C(CCc1cc(Br)cs1)NC(CO)CO
InChIInChI=1S/C10H14BrNO3S/c11-7-3-9(16-6-7)1-2-10(15)12-8(4-13)5-14/h3,6,8,13-14H,1-2,4-5H2,(H,12,15)
InChIKeyZRNWPMPQHMOWEK-UHFFFAOYSA-N
MW308.20 g/mol
LogP0.91
Rot. Bonds6

About 3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide

3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide (PubChem CID 131963103) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide
PubChem CID131963103
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide
SMILESO=C(CCc1cc(Br)cs1)NC(CO)CO
InChIInChI=1S/C10H14BrNO3S/c11-7-3-9(16-6-7)1-2-10(15)12-8(4-13)5-14/h3,6,8,13-14H,1-2,4-5H2,(H,12,15)
InChIKeyZRNWPMPQHMOWEK-UHFFFAOYSA-N
XLogP0.91
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[3-(4-bromothiophen-2-yl)propanoylamino]-3-methylbutanoic acid
CID 119368217
2-[3-(4-bromothiophen-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188027
3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide
CID 116846376
(2R)-2-[3-(4-bromothiophen-2-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366912
N-(2-amino-1-cyclohexylethyl)-3-(4-bromothiophen-2-yl)propanamide
CID 119592141
3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide
CID 86897384
N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
CID 119499711
3-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 60762193
1-[(4-bromothiophen-2-yl)methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110894443
3-(4-bromothiophen-2-yl)-N-[(1S,2S)-1-(4-methylphenyl)-2-methylsulfonylpropyl]propanamide
CID 124890247
3-(4-bromothiophen-2-yl)-N-[(2S)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]propanamide
CID 100644933
2-[[3-(4-bromothiophen-2-yl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119252765

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide?
The IUPAC name of 3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide (CID 131963103) is 3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide is O=C(CCc1cc(Br)cs1)NC(CO)CO.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide?
The InChIKey is ZRNWPMPQHMOWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c11-7-3-9(16-6-7)1-2-10(15)12-8(4-13)5-14/h3,6,8,13-14H,1-2,4-5H2,(H,12,15).
What are the key properties of 3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide?
3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide has a molecular weight of 308.20 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-N-(1,3-dihydroxypropan-2-yl)propanamide is sourced from PubChem (CID 131963103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).