N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide

C12H11ClN2OS — CID 82862101

IUPACN-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide
SMILESNc1ccc(NC(=O)Cc2ccsc2)cc1Cl
InChIInChI=1S/C12H11ClN2OS/c13-10-6-9(1-2-11(10)14)15-12(16)5-8-3-4-17-7-8/h1-4,6-7H,5,14H2,(H,15,16)
InChIKeyOUQDBQRCQLLVHB-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.16
Rot. Bonds3

About N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide

N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide (PubChem CID 82862101) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide
PubChem CID82862101
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide
SMILESNc1ccc(NC(=O)Cc2ccsc2)cc1Cl
InChIInChI=1S/C12H11ClN2OS/c13-10-6-9(1-2-11(10)14)15-12(16)5-8-3-4-17-7-8/h1-4,6-7H,5,14H2,(H,15,16)
InChIKeyOUQDBQRCQLLVHB-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone
CID 116581909
N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide
CID 82862106
N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide
CID 64792905
N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide
CID 2486757
3-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 28778986
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
2-thiophen-3-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962160
N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide
CID 139604579
N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 18140749
3-amino-4-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 63117130
N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054347

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide (CID 82862101) is N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide is Nc1ccc(NC(=O)Cc2ccsc2)cc1Cl.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide?
The InChIKey is OUQDBQRCQLLVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-10-6-9(1-2-11(10)14)15-12(16)5-8-3-4-17-7-8/h1-4,6-7H,5,14H2,(H,15,16).
What are the key properties of N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide?
N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide has a molecular weight of 266.75 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 82862101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).