N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide

C14H14BrNOS — CID 52570732

IUPACN-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCc1cccc(Br)c1
InChIInChI=1S/C14H14BrNOS/c15-12-4-1-3-11(9-12)10-16-14(17)7-6-13-5-2-8-18-13/h1-5,8-9H,6-7,10H2,(H,16,17)
InChIKeyYGUBSJROAKUGHT-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.76
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide

N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 52570732) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID52570732
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCc1cccc(Br)c1
InChIInChI=1S/C14H14BrNOS/c15-12-4-1-3-11(9-12)10-16-14(17)7-6-13-5-2-8-18-13/h1-5,8-9H,6-7,10H2,(H,16,17)
InChIKeyYGUBSJROAKUGHT-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
CID 34640507
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
CID 9112024
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 47161616
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
N-[(3-bromophenyl)methyl]-5-hydroxypentanamide
CID 79209822
N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55609041
N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 75871633
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
5-[(3-bromophenyl)methylamino]-5-oxopentanoate
CID 7330207
N-[(3-bromophenyl)methyl]-4-hydroxypentanamide
CID 79192945
N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide (CID 52570732) is N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is YGUBSJROAKUGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c15-12-4-1-3-11(9-12)10-16-14(17)7-6-13-5-2-8-18-13/h1-5,8-9H,6-7,10H2,(H,16,17).
What are the key properties of N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide?
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 324.24 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 52570732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).