3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide

C14H14N2OS — CID 126538925

IUPAC3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide
SMILESNc1cc(C(=O)NC2CC2)ccc1-c1ccsc1
InChIInChI=1S/C14H14N2OS/c15-13-7-9(14(17)16-11-2-3-11)1-4-12(13)10-5-6-18-8-10/h1,4-8,11H,2-3,15H2,(H,16,17)
InChIKeyASWVHVQFBRABFE-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.89
Rot. Bonds3

About 3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide

3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide (PubChem CID 126538925) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide
PubChem CID126538925
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide
SMILESNc1cc(C(=O)NC2CC2)ccc1-c1ccsc1
InChIInChI=1S/C14H14N2OS/c15-13-7-9(14(17)16-11-2-3-11)1-4-12(13)10-5-6-18-8-10/h1,4-8,11H,2-3,15H2,(H,16,17)
InChIKeyASWVHVQFBRABFE-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.89
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

N-cyclopentyl-4-thiophen-3-ylbenzamide
CID 20974787
N-cyclohexyl-4-thiophen-3-ylbenzamide
CID 20974786
3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide
CID 100632231
N-cyclopropyl-5-thiophen-3-yl-1,2-oxazole-3-carboxamide
CID 24859444
3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide
CID 11314984
N-[(4aR,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-4-thiophen-3-ylbenzamide
CID 124892419
3-amino-4-anilino-N-cyclopropylbenzamide
CID 84819042
N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43687516
4-thiophen-3-ylbenzene-1,3-dicarboxylic acid
CID 59395096
N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111118283
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide (CID 126538925) is 3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide is Nc1cc(C(=O)NC2CC2)ccc1-c1ccsc1.
What is the InChIKey of 3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide?
The InChIKey is ASWVHVQFBRABFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c15-13-7-9(14(17)16-11-2-3-11)1-4-12(13)10-5-6-18-8-10/h1,4-8,11H,2-3,15H2,(H,16,17).
What are the key properties of 3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide?
3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide has a molecular weight of 258.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 126538925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).