N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide

C16H18BrNOS — CID 39613953

IUPACN-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide
SMILESCC(C)(NC(=O)CCc1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNOS/c1-16(2,12-5-7-13(17)8-6-12)18-15(19)10-9-14-4-3-11-20-14/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyMJPAKNJOYKUZJP-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.49
Rot. Bonds5

About N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide

N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide (PubChem CID 39613953) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide
PubChem CID39613953
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide
SMILESCC(C)(NC(=O)CCc1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNOS/c1-16(2,12-5-7-13(17)8-6-12)18-15(19)10-9-14-4-3-11-20-14/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeyMJPAKNJOYKUZJP-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79203736
N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide
CID 63308093
N-(2-pyridin-4-ylpropan-2-yl)-2-thiophen-2-ylacetamide
CID 110870392
N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide
CID 60842935
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
N-(1-amino-2-cyclopropylpropan-2-yl)-3-thiophen-2-ylpropanamide
CID 119573701
2-methyl-2-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 61261493
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979
8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one
CID 116574838
N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 75871633
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-3-thiophen-2-ylpropanamide
CID 39709166

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide (CID 39613953) is N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide is CC(C)(NC(=O)CCc1cccs1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is MJPAKNJOYKUZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-16(2,12-5-7-13(17)8-6-12)18-15(19)10-9-14-4-3-11-20-14/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide?
N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 352.30 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 39613953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).