N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide

C11H18N2OS — CID 43601705

IUPACN-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
SMILESCCNCCCNC(=O)c1sccc1C
InChIInChI=1S/C11H18N2OS/c1-3-12-6-4-7-13-11(14)10-9(2)5-8-15-10/h5,8,12H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyFMJCVRYADYHMFA-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.79
Rot. Bonds6

About N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide

N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide (PubChem CID 43601705) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
PubChem CID43601705
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
SMILESCCNCCCNC(=O)c1sccc1C
InChIInChI=1S/C11H18N2OS/c1-3-12-6-4-7-13-11(14)10-9(2)5-8-15-10/h5,8,12H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyFMJCVRYADYHMFA-UHFFFAOYSA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119505169
N-(5-iodopentyl)-3-methylthiophene-2-carboxamide
CID 107322386
N-(4-azidobutyl)-3-methylthiophene-2-carboxamide
CID 106386478
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 27646619
2-[(3-methylthiophene-2-carbonyl)amino]ethyl nitrate
CID 23367112
3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide
CID 64518007
3-methyl-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
CID 71847384
2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 75496204

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide (CID 43601705) is N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide is CCNCCCNC(=O)c1sccc1C.
What is the InChIKey of N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide?
The InChIKey is FMJCVRYADYHMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-12-6-4-7-13-11(14)10-9(2)5-8-15-10/h5,8,12H,3-4,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide?
N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide has a molecular weight of 226.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 43601705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).