N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide

C16H18N2OS — CID 43460540

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide
SMILESNc1ccc(CN(C(=O)Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C16H18N2OS/c17-13-5-3-12(4-6-13)11-18(14-7-8-14)16(19)10-15-2-1-9-20-15/h1-6,9,14H,7-8,10-11,17H2
InChIKeyZUURUDXNVADQMQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.06
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide

N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide (PubChem CID 43460540) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide
PubChem CID43460540
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide
SMILESNc1ccc(CN(C(=O)Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C16H18N2OS/c17-13-5-3-12(4-6-13)11-18(14-7-8-14)16(19)10-15-2-1-9-20-15/h1-6,9,14H,7-8,10-11,17H2
InChIKeyZUURUDXNVADQMQ-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 80678217
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 39968065
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
2-(4-aminophenyl)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 119715337
N-cyclopentyl-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 159758558
N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide
CID 43114422
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
CID 103161534
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
1-(4-aminophenyl)-4-thiophen-2-ylbutan-2-one
CID 116549524
N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide
CID 43460515
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide (CID 43460540) is N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide is Nc1ccc(CN(C(=O)Cc2cccs2)C2CC2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide?
The InChIKey is ZUURUDXNVADQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c17-13-5-3-12(4-6-13)11-18(14-7-8-14)16(19)10-15-2-1-9-20-15/h1-6,9,14H,7-8,10-11,17H2.
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide?
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-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-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 43460540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).