3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide

C13H22N2OS — CID 55098145

IUPAC3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C(C)NCCC(=O)NC(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-9(2)15-13(16)7-8-14-11(4)12-6-5-10(3)17-12/h5-6,9,11,14H,7-8H2,1-4H3,(H,15,16)
InChIKeyQRWMMKJHXRQISW-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.62
Rot. Bonds6

About 3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide

3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide (PubChem CID 55098145) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide
PubChem CID55098145
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C(C)NCCC(=O)NC(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-9(2)15-13(16)7-8-14-11(4)12-6-5-10(3)17-12/h5-6,9,11,14H,7-8H2,1-4H3,(H,15,16)
InChIKeyQRWMMKJHXRQISW-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide 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-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 55098195
2,2,2-trifluoroethyl N-[3-[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 94669641
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 62574010
3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 115579678
(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 54954200
1-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 94576074
2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54962058
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide (CID 55098145) is 3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide is Cc1ccc(C(C)NCCC(=O)NC(C)C)s1.
What is the InChIKey of 3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide?
The InChIKey is QRWMMKJHXRQISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)15-13(16)7-8-14-11(4)12-6-5-10(3)17-12/h5-6,9,11,14H,7-8H2,1-4H3,(H,15,16).
What are the key properties of 3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide?
3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide has a molecular weight of 254.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 55098145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).