N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide

C16H18BrNO2S — CID 32776552

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C16H18BrNO2S/c1-2-20-14-6-4-3-5-12(14)7-10-16(19)18-11-13-8-9-15(17)21-13/h3-6,8-9H,2,7,10-11H2,1H3,(H,18,19)
InChIKeyAJQWPJSQDJSUHC-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.16
Rot. Bonds7

About N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide

N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide (PubChem CID 32776552) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide
PubChem CID32776552
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C16H18BrNO2S/c1-2-20-14-6-4-3-5-12(14)7-10-16(19)18-11-13-8-9-15(17)21-13/h3-6,8-9H,2,7,10-11H2,1H3,(H,18,19)
InChIKeyAJQWPJSQDJSUHC-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 78805596
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751
N-[(5-bromothiophen-2-yl)methyl]-4-ethoxybutanamide
CID 112728063
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
3-(2-ethoxyphenyl)-N-prop-2-enylpropanamide
CID 60659508
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone
CID 113330338
3-(2-ethoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 78805149
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18133750
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide (CID 32776552) is N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1CCC(=O)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide?
The InChIKey is AJQWPJSQDJSUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-2-20-14-6-4-3-5-12(14)7-10-16(19)18-11-13-8-9-15(17)21-13/h3-6,8-9H,2,7,10-11H2,1H3,(H,18,19).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide?
N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide has a molecular weight of 368.30 g/mol, XLogP of 4.16, 7 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]-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 32776552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).