N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide

C20H18BrNOS — CID 17415290

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
SMILESO=C(NCCc1ccc(Br)s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18BrNOS/c21-18-12-11-17(24-18)13-14-22-20(23)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,19H,13-14H2,(H,22,23)
InChIKeyPMDYHMUTDMFSHL-UHFFFAOYSA-N
MW400.34 g/mol
LogP5.00
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide

N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide (PubChem CID 17415290) has the molecular formula C20H18BrNOS and a molecular weight of 400.34 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
PubChem CID17415290
Molecular FormulaC20H18BrNOS
Molecular Weight400.34 g/mol
Exact Mass399.03
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
SMILESO=C(NCCc1ccc(Br)s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18BrNOS/c21-18-12-11-17(24-18)13-14-22-20(23)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,19H,13-14H2,(H,22,23)
InChIKeyPMDYHMUTDMFSHL-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.34
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 106048013
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119276581
(2R)-2-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 103994680
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide
CID 93434478
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
3-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]-2-methylpropanoic acid
CID 106040443
ethyl 2-amino-3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxopropanoate
CID 106047987
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18133750

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide (CID 17415290) is N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide is O=C(NCCc1ccc(Br)s1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide?
The InChIKey is PMDYHMUTDMFSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNOS/c21-18-12-11-17(24-18)13-14-22-20(23)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,19H,13-14H2,(H,22,23).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide has a molecular weight of 400.34 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 17415290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).