N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide

C11H17ClN2OS — CID 119582214

IUPACN-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)C(C)CN)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c1-7(6-13)14(3)11(15)8(2)9-4-5-10(12)16-9/h4-5,7-8H,6,13H2,1-3H3
InChIKeyKHGIWHIOJDXWCM-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.31
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide

N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide (PubChem CID 119582214) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide
PubChem CID119582214
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC NameN-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)C(C)CN)c1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c1-7(6-13)14(3)11(15)8(2)9-4-5-10(12)16-9/h4-5,7-8H,6,13H2,1-3H3
InChIKeyKHGIWHIOJDXWCM-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide 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

2-(5-chlorothiophen-2-yl)-N-methylpropanehydrazide
CID 116845748
N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 119584872
2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
CID 71859613
(2R)-2-(5-chlorothiophen-2-yl)-N-methyl-N-propan-2-ylsulfonylpropanamide
CID 97018750
N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119665756
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
2-[2-(5-chlorothiophen-2-yl)propanoyl-cyclopropylamino]acetic acid
CID 120517629
2-N-(5-chlorothiophen-2-yl)-2-N-methylpropane-1,2-diamine
CID 117039872
2-(5-chlorothiophen-2-yl)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 71914600
2-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylpyrazol-3-yl)propanamide
CID 71861310
N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119613918
methyl (2S)-2-[[(2S)-2-(5-chlorothiophen-2-yl)propanoyl]amino]butanoate
CID 97008635

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide (CID 119582214) is N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide is CC(C(=O)N(C)C(C)CN)c1ccc(Cl)s1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide?
The InChIKey is KHGIWHIOJDXWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-7(6-13)14(3)11(15)8(2)9-4-5-10(12)16-9/h4-5,7-8H,6,13H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide?
N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide has a molecular weight of 260.79 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide is sourced from PubChem (CID 119582214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).