5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide

C17H18N2OS — CID 61076019

IUPAC5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide
SMILESCCCc1ccc(NC(=O)c2ccc(C#CCN)s2)cc1
InChIInChI=1S/C17H18N2OS/c1-2-4-13-6-8-14(9-7-13)19-17(20)16-11-10-15(21-16)5-3-12-18/h6-11H,2,4,12,18H2,1H3,(H,19,20)
InChIKeyNLWWAWTUKBFWIV-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.26
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide (PubChem CID 61076019) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide
PubChem CID61076019
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide
SMILESCCCc1ccc(NC(=O)c2ccc(C#CCN)s2)cc1
InChIInChI=1S/C17H18N2OS/c1-2-4-13-6-8-14(9-7-13)19-17(20)16-11-10-15(21-16)5-3-12-18/h6-11H,2,4,12,18H2,1H3,(H,19,20)
InChIKeyNLWWAWTUKBFWIV-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 61075838
5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414555
5-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methoxyphenyl)thiophene-2-carboxamide
CID 114840611
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
CID 61075649
5-(3-aminoprop-1-ynyl)-N-(2-phenylethyl)thiophene-2-carboxamide
CID 61075127
5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
CID 83023048
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 61075669
5-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102907704
5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 63010792
5-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-2-carboxamide
CID 55213945
5-(3-aminoprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 61075844

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide (CID 61076019) is 5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide is CCCc1ccc(NC(=O)c2ccc(C#CCN)s2)cc1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide?
The InChIKey is NLWWAWTUKBFWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-2-4-13-6-8-14(9-7-13)19-17(20)16-11-10-15(21-16)5-3-12-18/h6-11H,2,4,12,18H2,1H3,(H,19,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 61076019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).