N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide

C11H12N2O2S — CID 51305133

IUPACN-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
SMILESC#CCNC(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C11H12N2O2S/c1-3-6-12-10(14)8(2)13-11(15)9-5-4-7-16-9/h1,4-5,7-8H,6H2,2H3,(H,12,14)(H,13,15)
InChIKeyGUEUCBHCWYIRCZ-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.62
Rot. Bonds4

About N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide (PubChem CID 51305133) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
PubChem CID51305133
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
SMILESC#CCNC(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C11H12N2O2S/c1-3-6-12-10(14)8(2)13-11(15)9-5-4-7-16-9/h1,4-5,7-8H,6H2,2H3,(H,12,14)(H,13,15)
InChIKeyGUEUCBHCWYIRCZ-UHFFFAOYSA-N
XLogP0.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.62
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

2-[[2-[2-(thiophene-2-carbonylamino)propanoylamino]acetyl]amino]acetic acid
CID 43388110
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298987
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119527410
3-methoxy-4-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 103152904
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-[(2,2-difluoro-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 104857265
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46522928
(2S)-3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 61137613
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119585489
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-[(1,5-dimethylpyrrol-2-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682542

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide (CID 51305133) is N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide is C#CCNC(=O)C(C)NC(=O)c1cccs1.
What is the InChIKey of N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is GUEUCBHCWYIRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-6-12-10(14)8(2)13-11(15)9-5-4-7-16-9/h1,4-5,7-8H,6H2,2H3,(H,12,14)(H,13,15).
What are the key properties of N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51305133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).