N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide

C18H16BrNOS — CID 119106153

IUPACN-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
SMILESCC(Cc1csc2ccccc12)NC(=O)c1ccccc1Br
InChIInChI=1S/C18H16BrNOS/c1-12(20-18(21)15-7-2-4-8-16(15)19)10-13-11-22-17-9-5-3-6-14(13)17/h2-9,11-12H,10H2,1H3,(H,20,21)
InChIKeyKIAZHGMMVYLINF-UHFFFAOYSA-N
MW374.30 g/mol
LogP5.02
Rot. Bonds4

About N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide

N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide (PubChem CID 119106153) has the molecular formula C18H16BrNOS and a molecular weight of 374.30 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
PubChem CID119106153
Molecular FormulaC18H16BrNOS
Molecular Weight374.30 g/mol
Exact Mass373.01
IUPAC NameN-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide
SMILESCC(Cc1csc2ccccc12)NC(=O)c1ccccc1Br
InChIInChI=1S/C18H16BrNOS/c1-12(20-18(21)15-7-2-4-8-16(15)19)10-13-11-22-17-9-5-3-6-14(13)17/h2-9,11-12H,10H2,1H3,(H,20,21)
InChIKeyKIAZHGMMVYLINF-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.30
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide 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-(1-benzothiophen-3-yl)propan-2-yl]-5-bromofuran-2-carboxamide
CID 121023395
N-[1-(1-benzothiophen-3-yl)propan-2-yl]furan-2-carboxamide
CID 119106138
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-methoxyacetamide
CID 121023374
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-4-methylthiadiazole-5-carboxamide
CID 121023381
N-(1-bromopropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114310766
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide
CID 121023406
N-(4-aminobutan-2-yl)-2-bromobenzamide
CID 139298037
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide
CID 146079150
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-3-thiophen-3-ylprop-2-enamide
CID 171136942
2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol
CID 63736722
methyl 2-(1-benzothiophen-3-ylmethyl)-3-methylbutanoate
CID 116931459

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide?
The IUPAC name of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide (CID 119106153) is N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide.
What is the SMILES notation for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide?
The canonical SMILES for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide is CC(Cc1csc2ccccc12)NC(=O)c1ccccc1Br.
What is the InChIKey of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide?
The InChIKey is KIAZHGMMVYLINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNOS/c1-12(20-18(21)15-7-2-4-8-16(15)19)10-13-11-22-17-9-5-3-6-14(13)17/h2-9,11-12H,10H2,1H3,(H,20,21).
What are the key properties of N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide?
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide has a molecular weight of 374.30 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-bromobenzamide is sourced from PubChem (CID 119106153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).