N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide

C15H16N2O2S2 — CID 26444525

IUPACN-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCCSc1ccccc1
InChIInChI=1S/C15H16N2O2S2/c18-14(11-17-15(19)13-7-4-9-21-13)16-8-10-20-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H,16,18)(H,17,19)
InChIKeyXOGFYQHXRUVUGA-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.39
Rot. Bonds7

About N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide

N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide (PubChem CID 26444525) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
PubChem CID26444525
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC NameN-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCCSc1ccccc1
InChIInChI=1S/C15H16N2O2S2/c18-14(11-17-15(19)13-7-4-9-21-13)16-8-10-20-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H,16,18)(H,17,19)
InChIKeyXOGFYQHXRUVUGA-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 111471983
N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9483103
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7603730
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide
CID 9479389
(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid
CID 107834928
N-[2-[[4-(3-phenylsulfanylpropanoylamino)benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062981
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 41306986
2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
CID 66165843
N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide
CID 56785076
N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 110909020

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide (CID 26444525) is N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NCCSc1ccccc1.
What is the InChIKey of N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is XOGFYQHXRUVUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c18-14(11-17-15(19)13-7-4-9-21-13)16-8-10-20-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 26444525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).