3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide

C16H17ClN2OS — CID 43439080

IUPAC3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide
SMILESCC(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClN2OS/c1-10(14-7-8-15(17)21-14)18-13-4-2-3-11(9-13)16(20)19-12-5-6-12/h2-4,7-10,12,18H,5-6H2,1H3,(H,19,20)
InChIKeyOERAKZBVQCSXSR-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.47
Rot. Bonds5

About 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide

3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide (PubChem CID 43439080) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide
PubChem CID43439080
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide
SMILESCC(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)s1
InChIInChI=1S/C16H17ClN2OS/c1-10(14-7-8-15(17)21-14)18-13-4-2-3-11(9-13)16(20)19-12-5-6-12/h2-4,7-10,12,18H,5-6H2,1H3,(H,19,20)
InChIKeyOERAKZBVQCSXSR-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-aminopropan-2-ylamino)-N-cyclopropylbenzamide
CID 103387471
N-ethyl-3-[1-(5-methylthiophen-2-yl)ethylamino]benzamide
CID 43680749
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
tert-butyl N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107239977
N-cyclopropyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]benzamide
CID 9361250
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluorobenzamide
CID 46419387
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
CID 91509964
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389328

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide (CID 43439080) is 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide is CC(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)s1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide?
The InChIKey is OERAKZBVQCSXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-10(14-7-8-15(17)21-14)18-13-4-2-3-11(9-13)16(20)19-12-5-6-12/h2-4,7-10,12,18H,5-6H2,1H3,(H,19,20).
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide?
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide has a molecular weight of 320.85 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 43439080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).