N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide

C11H16N2O2S — CID 84557984

IUPACN-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1csc(C)c1C
InChIInChI=1S/C11H16N2O2S/c1-7-8(2)16-6-10(7)11(15)13-5-4-12-9(3)14/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyIBPICEKHNIRXTA-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.23
Rot. Bonds4

About N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide

N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide (PubChem CID 84557984) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide
PubChem CID84557984
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1csc(C)c1C
InChIInChI=1S/C11H16N2O2S/c1-7-8(2)16-6-10(7)11(15)13-5-4-12-9(3)14/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyIBPICEKHNIRXTA-UHFFFAOYSA-N
XLogP1.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.23
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

4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide
CID 84558066
N-(2-acetamidoethyl)-4-methoxy-2,3-dimethylbenzamide
CID 110763188
N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
CID 30596154
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
2-[(4,5-dimethylthiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 84557828
N-(2-acetamidoethyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62788552
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4,5-dimethyl-N,N-dipropylthiophene-3-carboxamide
CID 84556489
N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79819376
N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide
CID 47149231
N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
CID 61092677

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide (CID 84557984) is N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide is CC(=O)NCCNC(=O)c1csc(C)c1C.
What is the InChIKey of N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is IBPICEKHNIRXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-8(2)16-6-10(7)11(15)13-5-4-12-9(3)14/h6H,4-5H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide?
N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 84557984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).