N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide

C16H18N2OS — CID 43460875

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
SMILESNc1ccccc1CN(C(=O)Cc1ccsc1)C1CC1
InChIInChI=1S/C16H18N2OS/c17-15-4-2-1-3-13(15)10-18(14-5-6-14)16(19)9-12-7-8-20-11-12/h1-4,7-8,11,14H,5-6,9-10,17H2
InChIKeyDBASNEAYYRKIDD-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.06
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide

N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide (PubChem CID 43460875) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
PubChem CID43460875
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
SMILESNc1ccccc1CN(C(=O)Cc1ccsc1)C1CC1
InChIInChI=1S/C16H18N2OS/c17-15-4-2-1-3-13(15)10-18(14-5-6-14)16(19)9-12-7-8-20-11-12/h1-4,7-8,11,14H,5-6,9-10,17H2
InChIKeyDBASNEAYYRKIDD-UHFFFAOYSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 107272972
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
CID 62799810
N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 80658598
(2R)-2-amino-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61168373
N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide
CID 102871977
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 65214178
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
CID 55102715
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide (CID 43460875) is N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide is Nc1ccccc1CN(C(=O)Cc1ccsc1)C1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide?
The InChIKey is DBASNEAYYRKIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c17-15-4-2-1-3-13(15)10-18(14-5-6-14)16(19)9-12-7-8-20-11-12/h1-4,7-8,11,14H,5-6,9-10,17H2.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide?
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide has a molecular weight of 286.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 43460875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).