N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide

C14H22N2O3S — CID 51095007

IUPACN-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1cc(C)sc1C
InChIInChI=1S/C14H22N2O3S/c1-10-8-12(11(2)20-10)14(18)16(3)9-13(17)15-6-5-7-19-4/h8H,5-7,9H2,1-4H3,(H,15,17)
InChIKeyCRSHIUVZEOATJK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.59
Rot. Bonds7

About N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide (PubChem CID 51095007) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
PubChem CID51095007
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1cc(C)sc1C
InChIInChI=1S/C14H22N2O3S/c1-10-8-12(11(2)20-10)14(18)16(3)9-13(17)15-6-5-7-19-4/h8H,5-7,9H2,1-4H3,(H,15,17)
InChIKeyCRSHIUVZEOATJK-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 51307897
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide
CID 51098155
2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 105380806
3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092078
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 51307884
3-bromo-2-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 106547925
4-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 51095013
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
4-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60956041
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide?
The IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide (CID 51095007) is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide is COCCCNC(=O)CN(C)C(=O)c1cc(C)sc1C.
What is the InChIKey of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide?
The InChIKey is CRSHIUVZEOATJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-8-12(11(2)20-10)14(18)16(3)9-13(17)15-6-5-7-19-4/h8H,5-7,9H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide?
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide is sourced from PubChem (CID 51095007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).