N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

C15H16BrN3OS — CID 43375514

IUPACN-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESNc1ccc(NC(=O)CN2CCc3sccc3C2)c(Br)c1
InChIInChI=1S/C15H16BrN3OS/c16-12-7-11(17)1-2-13(12)18-15(20)9-19-5-3-14-10(8-19)4-6-21-14/h1-2,4,6-7H,3,5,8-9,17H2,(H,18,20)
InChIKeyJAIGXNOAYKUWJE-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.09
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 43375514) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID43375514
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC NameN-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESNc1ccc(NC(=O)CN2CCc3sccc3C2)c(Br)c1
InChIInChI=1S/C15H16BrN3OS/c16-12-7-11(17)1-2-13(12)18-15(20)9-19-5-3-14-10(8-19)4-6-21-14/h1-2,4,6-7H,3,5,8-9,17H2,(H,18,20)
InChIKeyJAIGXNOAYKUWJE-UHFFFAOYSA-N
XLogP3.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 46690281
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 60560848
N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64683209
N-(4-amino-2-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 43575163
N-(4-amino-2-bromophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43581094
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47034364
N-(4-amino-2-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 16794615
N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640
N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 43376282
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51476386

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (CID 43375514) is N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is Nc1ccc(NC(=O)CN2CCc3sccc3C2)c(Br)c1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is JAIGXNOAYKUWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c16-12-7-11(17)1-2-13(12)18-15(20)9-19-5-3-14-10(8-19)4-6-21-14/h1-2,4,6-7H,3,5,8-9,17H2,(H,18,20).
What are the key properties of N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 366.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 43375514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).