3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide

C16H16N2O2S — CID 63244337

IUPAC3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccsc2)cc1C#CCN
InChIInChI=1S/C16H16N2O2S/c1-20-15-5-4-14(9-13(15)3-2-7-17)16(19)18-10-12-6-8-21-11-12/h4-6,8-9,11H,7,10,17H2,1H3,(H,18,19)
InChIKeyFAMWJNZNIPCKMZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.00
Rot. Bonds4

About 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide

3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 63244337) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
PubChem CID63244337
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2ccsc2)cc1C#CCN
InChIInChI=1S/C16H16N2O2S/c1-20-15-5-4-14(9-13(15)3-2-7-17)16(19)18-10-12-6-8-21-11-12/h4-6,8-9,11H,7,10,17H2,1H3,(H,18,19)
InChIKeyFAMWJNZNIPCKMZ-UHFFFAOYSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 63244733
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63244383
3-(3-aminoprop-1-ynyl)-N-(2,2-dimethylpropyl)-4-methoxybenzamide
CID 61168070
3-(3-aminoprop-1-ynyl)-4-methoxy-N',N'-dimethylbenzohydrazide
CID 83023217
3-(3-aminoprop-1-ynyl)-4-methoxy-N-methyl-N-pentan-3-ylbenzamide
CID 61034469
3-(3-aminoprop-1-ynyl)-4-methoxy-N-piperidin-1-ylbenzamide
CID 83015977
3-(3-aminoprop-1-ynyl)-4-methoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61428154
3-(3-aminoprop-1-ynyl)-N-benzyl-4-methylbenzamide
CID 81458811
3-(3-aminoprop-1-ynyl)-4-methoxy-N-methyl-N-propylbenzamide
CID 54910570
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-4-methoxy-N-methylbenzamide
CID 63699329
3-(3-aminoprop-1-ynyl)-4-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114550720
N-(2-amino-2-oxoethyl)-3-(4-hydroxybut-1-ynyl)-4-methoxybenzamide
CID 61034072

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide (CID 63244337) is 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide is COc1ccc(C(=O)NCc2ccsc2)cc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is FAMWJNZNIPCKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-20-15-5-4-14(9-13(15)3-2-7-17)16(19)18-10-12-6-8-21-11-12/h4-6,8-9,11H,7,10,17H2,1H3,(H,18,19).
What are the key properties of 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide?
3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-4-methoxy-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 63244337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).