3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide

C17H20N2OS — CID 107272972

IUPAC3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
SMILESNc1ccccc1CCC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C17H20N2OS/c18-16-4-2-1-3-14(16)5-8-17(20)19(15-6-7-15)11-13-9-10-21-12-13/h1-4,9-10,12,15H,5-8,11,18H2
InChIKeyVITNNSKLUSEICX-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.45
Rot. Bonds6

About 3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide

3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 107272972) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID107272972
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
SMILESNc1ccccc1CCC(=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C17H20N2OS/c18-16-4-2-1-3-14(16)5-8-17(20)19(15-6-7-15)11-13-9-10-21-12-13/h1-4,9-10,12,15H,5-8,11,18H2
InChIKeyVITNNSKLUSEICX-UHFFFAOYSA-N
XLogP3.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.45
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

N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
CID 43460875
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride
CID 120608805
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
(2R)-2-amino-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61168373
2-(2-amino-1,3-thiazol-4-yl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
CID 62799810
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
N-cyclopropyl-3-piperidin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 62210423
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide
CID 61168568
2-amino-N-cyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62508692

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide (CID 107272972) is 3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide is Nc1ccccc1CCC(=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is VITNNSKLUSEICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c18-16-4-2-1-3-14(16)5-8-17(20)19(15-6-7-15)11-13-9-10-21-12-13/h1-4,9-10,12,15H,5-8,11,18H2.
What are the key properties of 3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide?
3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 300.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 107272972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).