5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide

C16H18N2OS2 — CID 79998080

IUPAC5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide
SMILESCCC(NC(=O)c1cc(C)c(C#CCN)s1)c1cccs1
InChIInChI=1S/C16H18N2OS2/c1-3-12(14-7-5-9-20-14)18-16(19)15-10-11(2)13(21-15)6-4-8-17/h5,7,9-10,12H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyFNLDNFZZXQUPIB-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.31
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide (PubChem CID 79998080) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide
PubChem CID79998080
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC Name5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide
SMILESCCC(NC(=O)c1cc(C)c(C#CCN)s1)c1cccs1
InChIInChI=1S/C16H18N2OS2/c1-3-12(14-7-5-9-20-14)18-16(19)15-10-11(2)13(21-15)6-4-8-17/h5,7,9-10,12H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyFNLDNFZZXQUPIB-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-(3-aminoprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106346971
3-(3-aminoprop-1-ynyl)-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 107524027
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide
CID 79990489
5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide
CID 107642846
5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 79977285
5-(3-aminoprop-1-ynyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990327
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 79998077
5-(3-aminoprop-1-ynyl)-N-(3-chloro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79976616
5-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-phenylthiophene-2-carboxamide
CID 79977273
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide
CID 79990142
ethyl 3-[[5-(3-aminoprop-1-ynyl)-4-methylthiophene-2-carbonyl]amino]propanoate
CID 79990765
5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79990676

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide (CID 79998080) is 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide is CCC(NC(=O)c1cc(C)c(C#CCN)s1)c1cccs1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide?
The InChIKey is FNLDNFZZXQUPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS2/c1-3-12(14-7-5-9-20-14)18-16(19)15-10-11(2)13(21-15)6-4-8-17/h5,7,9-10,12H,3,8,17H2,1-2H3,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-thiophen-2-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 79998080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).