2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide

C15H14BrN3OS — CID 25481993

IUPAC2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
SMILESC[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1Br
InChIInChI=1S/C15H14BrN3OS/c1-10(12-4-2-3-5-13(12)16)18-9-14(20)19-15-11(8-17)6-7-21-15/h2-7,10,18H,9H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyRHVTYGYYOOPVTA-SNVBAGLBSA-N
MW364.27 g/mol
LogP3.67
Rot. Bonds5

About 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide

2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 25481993) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID25481993
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
SMILESC[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1Br
InChIInChI=1S/C15H14BrN3OS/c1-10(12-4-2-3-5-13(12)16)18-9-14(20)19-15-11(8-17)6-7-21-15/h2-7,10,18H,9H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyRHVTYGYYOOPVTA-SNVBAGLBSA-N
XLogP3.67
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide 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-(3-cyanothiophen-2-yl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397879
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468420
N-(3-cyanothiophen-2-yl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393472
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 81378691
N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8998084
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 81378696
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 81378359
N-(2-cyanophenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086016
2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
CID 17428824
2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 8996651
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
3-bromo-N-(3-cyanothiophen-2-yl)thiophene-2-carboxamide
CID 60778072

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide (CID 25481993) is 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide is C[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1Br.
What is the InChIKey of 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is RHVTYGYYOOPVTA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c1-10(12-4-2-3-5-13(12)16)18-9-14(20)19-15-11(8-17)6-7-21-15/h2-7,10,18H,9H2,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide?
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 364.27 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 25481993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).