N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide

C15H18N2O3S — CID 33189454

IUPACN-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide
SMILESCCc1cc(C(=O)NCCNC(=O)c2ccco2)sc1C
InChIInChI=1S/C15H18N2O3S/c1-3-11-9-13(21-10(11)2)15(19)17-7-6-16-14(18)12-5-4-8-20-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyJGPRERSHKQXSGL-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.37
Rot. Bonds6

About N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide

N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide (PubChem CID 33189454) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide
PubChem CID33189454
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide
SMILESCCc1cc(C(=O)NCCNC(=O)c2ccco2)sc1C
InChIInChI=1S/C15H18N2O3S/c1-3-11-9-13(21-10(11)2)15(19)17-7-6-16-14(18)12-5-4-8-20-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyJGPRERSHKQXSGL-UHFFFAOYSA-N
XLogP2.37
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(5-methyl-4-propylthiophene-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 24620654
4-ethyl-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 55660950
N-[2-(thieno[3,2-b][1]benzothiole-2-carbonylamino)ethyl]furan-2-carboxamide
CID 24683485
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
4-ethyl-5-methyl-N-[3-(N-methylanilino)propyl]thiophene-2-carboxamide
CID 37315774
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 30797202
7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid
CID 43092885
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110914716

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide (CID 33189454) is N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide is CCc1cc(C(=O)NCCNC(=O)c2ccco2)sc1C.
What is the InChIKey of N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is JGPRERSHKQXSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-11-9-13(21-10(11)2)15(19)17-7-6-16-14(18)12-5-4-8-20-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide?
N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 33189454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).