N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide

C15H16BrNOS — CID 75871633

IUPACN-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCC(NC(=O)CCc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C15H16BrNOS/c1-11(12-4-2-5-13(16)10-12)17-15(18)8-7-14-6-3-9-19-14/h2-6,9-11H,7-8H2,1H3,(H,17,18)
InChIKeyKRAVILQQCIWXOB-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.32
Rot. Bonds5

About N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide

N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 75871633) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID75871633
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCC(NC(=O)CCc1cccs1)c1cccc(Br)c1
InChIInChI=1S/C15H16BrNOS/c1-11(12-4-2-5-13(16)10-12)17-15(18)8-7-14-6-3-9-19-14/h2-6,9-11H,7-8H2,1H3,(H,17,18)
InChIKeyKRAVILQQCIWXOB-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-bromophenyl)ethyl]-4-chlorobutanamide
CID 63307697
N-[1-(3-bromophenyl)ethyl]pent-4-enamide
CID 62678897
5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
CID 81376172
N-[1-(3-bromophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 55575144
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
3-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbutanamide
CID 64686188
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
(2S)-4-methyl-2-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 61155171

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide (CID 75871633) is N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide is CC(NC(=O)CCc1cccs1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is KRAVILQQCIWXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-11(12-4-2-5-13(16)10-12)17-15(18)8-7-14-6-3-9-19-14/h2-6,9-11H,7-8H2,1H3,(H,17,18).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide?
N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 338.27 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 75871633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).