5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide

C17H18N2OS — CID 63010792

IUPAC5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C17H18N2OS/c1-13(12-14-6-3-2-4-7-14)19-17(20)16-10-9-15(21-16)8-5-11-18/h2-4,6-7,9-10,13H,11-12,18H2,1H3,(H,19,20)
InChIKeyLPCQFPWBHBNMCM-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.42
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide (PubChem CID 63010792) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide
PubChem CID63010792
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C17H18N2OS/c1-13(12-14-6-3-2-4-7-14)19-17(20)16-10-9-15(21-16)8-5-11-18/h2-4,6-7,9-10,13H,11-12,18H2,1H3,(H,19,20)
InChIKeyLPCQFPWBHBNMCM-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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-butan-2-ylthiophene-2-carboxamide
CID 61075649
5-(3-aminoprop-1-ynyl)-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 104592147
5-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102907704
5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 61479130
5-(4-hydroxybut-1-ynyl)-N-pentan-2-ylthiophene-2-carboxamide
CID 61074909
5-(3-aminoprop-1-ynyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-3-carboxamide
CID 79691917
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide
CID 64733139
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
CID 47210807
2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63010937
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
5-iodo-N-(1-phenylpropan-2-yl)thiophene-3-carboxamide
CID 79692781
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide (CID 63010792) is 5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide is CC(Cc1ccccc1)NC(=O)c1ccc(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide?
The InChIKey is LPCQFPWBHBNMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-13(12-14-6-3-2-4-7-14)19-17(20)16-10-9-15(21-16)8-5-11-18/h2-4,6-7,9-10,13H,11-12,18H2,1H3,(H,19,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.42, 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-(1-phenylpropan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 63010792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).