2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide

C16H16N2OS — CID 81111983

IUPAC2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(C#CCN)c(C(=O)NCc2cccs2)c1
InChIInChI=1S/C16H16N2OS/c1-12-6-7-13(4-2-8-17)15(10-12)16(19)18-11-14-5-3-9-20-14/h3,5-7,9-10H,8,11,17H2,1H3,(H,18,19)
InChIKeyFYTADWNFUUFPJT-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide

2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 81111983) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID81111983
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(C#CCN)c(C(=O)NCc2cccs2)c1
InChIInChI=1S/C16H16N2OS/c1-12-6-7-13(4-2-8-17)15(10-12)16(19)18-11-14-5-3-9-20-14/h3,5-7,9-10H,8,11,17H2,1H3,(H,18,19)
InChIKeyFYTADWNFUUFPJT-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-5-methylbenzamide
CID 83114640
2-(3-aminoprop-1-ynyl)-5-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106897509
3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 63798987
2-(3-aminoprop-1-ynyl)-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60845884
2-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-5-methylbenzamide
CID 81111585
N-(4-amino-4-oxobutyl)-2-(3-aminoprop-1-ynyl)-5-methylbenzamide
CID 81112724
3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821661
2-(3-aminoprop-1-ynyl)-5-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 81112516
5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 62510534
2-(3-aminoprop-1-ynyl)-5-methyl-N-pyridin-4-ylbenzamide
CID 81112100
2-(3-aminoprop-1-ynyl)-N-(3-methoxy-2-methylpropyl)-5-methylbenzamide
CID 81112112
3-(3-aminoprop-1-ynyl)-4-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 81459366

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 81111983) is 2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide is Cc1ccc(C#CCN)c(C(=O)NCc2cccs2)c1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is FYTADWNFUUFPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-12-6-7-13(4-2-8-17)15(10-12)16(19)18-11-14-5-3-9-20-14/h3,5-7,9-10H,8,11,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide?
2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 284.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 81111983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).