3-amino-N-(1-thiophen-2-ylpropyl)benzamide

C14H16N2OS — CID 54964756

IUPAC3-amino-N-(1-thiophen-2-ylpropyl)benzamide
SMILESCCC(NC(=O)c1cccc(N)c1)c1cccs1
InChIInChI=1S/C14H16N2OS/c1-2-12(13-7-4-8-18-13)16-14(17)10-5-3-6-11(15)9-10/h3-9,12H,2,15H2,1H3,(H,16,17)
InChIKeyZGLQEKMUYIVOPS-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.21
Rot. Bonds4

About 3-amino-N-(1-thiophen-2-ylpropyl)benzamide

3-amino-N-(1-thiophen-2-ylpropyl)benzamide (PubChem CID 54964756) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-amino-N-(1-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1-thiophen-2-ylpropyl)benzamide
PubChem CID54964756
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-amino-N-(1-thiophen-2-ylpropyl)benzamide
SMILESCCC(NC(=O)c1cccc(N)c1)c1cccs1
InChIInChI=1S/C14H16N2OS/c1-2-12(13-7-4-8-18-13)16-14(17)10-5-3-6-11(15)9-10/h3-9,12H,2,15H2,1H3,(H,16,17)
InChIKeyZGLQEKMUYIVOPS-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-aminobenzoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 43712134
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 65349782
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate
CID 55907611
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
CID 119132592
5-amino-N-(1-thiophen-2-ylpropyl)-1H-indole-2-carboxamide
CID 63118272
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 114344112
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid
CID 113432279
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide
CID 107261861

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 3-amino-N-(1-thiophen-2-ylpropyl)benzamide (CID 54964756) is 3-amino-N-(1-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 3-amino-N-(1-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 3-amino-N-(1-thiophen-2-ylpropyl)benzamide is CCC(NC(=O)c1cccc(N)c1)c1cccs1.
What is the InChIKey of 3-amino-N-(1-thiophen-2-ylpropyl)benzamide?
The InChIKey is ZGLQEKMUYIVOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-12(13-7-4-8-18-13)16-14(17)10-5-3-6-11(15)9-10/h3-9,12H,2,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(1-thiophen-2-ylpropyl)benzamide?
3-amino-N-(1-thiophen-2-ylpropyl)benzamide has a molecular weight of 260.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 54964756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).