4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide

C16H20N2OS — CID 119335347

IUPAC4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(CN)cc1)Cc1cccs1
InChIInChI=1S/C16H20N2OS/c1-12(9-15-3-2-8-20-15)11-18-16(19)14-6-4-13(10-17)5-7-14/h2-8,12H,9-11,17H2,1H3,(H,18,19)
InChIKeyYBYSSFOLDXHESB-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.82
Rot. Bonds6

About 4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide

4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide (PubChem CID 119335347) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide
PubChem CID119335347
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(CN)cc1)Cc1cccs1
InChIInChI=1S/C16H20N2OS/c1-12(9-15-3-2-8-20-15)11-18-16(19)14-6-4-13(10-17)5-7-14/h2-8,12H,9-11,17H2,1H3,(H,18,19)
InChIKeyYBYSSFOLDXHESB-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091
4-[[4-(aminomethyl)benzoyl]amino]-3-methylbutanoic acid
CID 81073583
2-N-(2-methyl-3-thiophen-2-ylpropyl)pyridine-2,5-dicarboxamide
CID 119138064
N-(2-amino-2-oxoethyl)-4-[[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111674397
3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride
CID 120501636
4-[[[ethylamino-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111673409
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]ethyl]acetamide
CID 111673748
1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea
CID 111507839
3-amino-N-(2-methyl-3-thiophen-2-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119804174
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
4-[(propan-2-ylcarbamoylamino)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 9374254
N-[2-(dimethylamino)ethyl]-3-[[[N'-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]methyl]benzamide
CID 111674302

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide (CID 119335347) is 4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide is CC(CNC(=O)c1ccc(CN)cc1)Cc1cccs1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide?
The InChIKey is YBYSSFOLDXHESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(9-15-3-2-8-20-15)11-18-16(19)14-6-4-13(10-17)5-7-14/h2-8,12H,9-11,17H2,1H3,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide?
4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide has a molecular weight of 288.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 119335347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).