5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide

C16H24N2O2S — CID 79998084

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1cc(C)c(C#CCN)s1
InChIInChI=1S/C16H24N2O2S/c1-12(2)11-18(8-9-20-4)16(19)15-10-13(3)14(21-15)6-5-7-17/h10,12H,7-9,11,17H2,1-4H3
InChIKeyLPFVDQHPPFGUKR-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.11
Rot. Bonds6

About 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 79998084) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID79998084
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1cc(C)c(C#CCN)s1
InChIInChI=1S/C16H24N2O2S/c1-12(2)11-18(8-9-20-4)16(19)15-10-13(3)14(21-15)6-5-7-17/h10,12H,7-9,11,17H2,1-4H3
InChIKeyLPFVDQHPPFGUKR-UHFFFAOYSA-N
XLogP2.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 79998100
5-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)-N,4-dimethylthiophene-2-carboxamide
CID 79990216
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-propan-2-yloxyethyl)thiophene-2-carboxamide
CID 81062272
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylbutyl)thiophene-2-carboxamide
CID 79989544
5-(3-aminoprop-1-ynyl)-N-ethyl-N-(2-ethylbutyl)-4-methylthiophene-2-carboxamide
CID 79997871
5-(3-aminoprop-1-ynyl)-N-(4-methoxybutyl)-4-methylthiophene-2-carboxamide
CID 79990221
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide
CID 79990142
N-(2-amino-2-oxoethyl)-5-(3-aminoprop-1-ynyl)-4-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 79989555
5-(3-aminoprop-1-ynyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990327
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112663432
5-(3-aminoprop-1-ynyl)-N,4-dimethyl-N-(2-methylsulfonylethyl)thiophene-2-carboxamide
CID 79990677
N,N-diethyl-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79981893

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide (CID 79998084) is 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide is COCCN(CC(C)C)C(=O)c1cc(C)c(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is LPFVDQHPPFGUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12(2)11-18(8-9-20-4)16(19)15-10-13(3)14(21-15)6-5-7-17/h10,12H,7-9,11,17H2,1-4H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 79998084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).