N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide

C10H14N2O2S2 — CID 107023129

IUPACN-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cc(S)cs1
InChIInChI=1S/C10H14N2O2S2/c1-6(2)12-9(13)4-11-10(14)8-3-7(15)5-16-8/h3,5-6,15H,4H2,1-2H3,(H,11,14)(H,12,13)
InChIKeySLBJSDSZKCIJAI-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.29
Rot. Bonds4

About N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide

N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide (PubChem CID 107023129) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
PubChem CID107023129
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC NameN-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cc(S)cs1
InChIInChI=1S/C10H14N2O2S2/c1-6(2)12-9(13)4-11-10(14)8-3-7(15)5-16-8/h3,5-6,15H,4H2,1-2H3,(H,11,14)(H,12,13)
InChIKeySLBJSDSZKCIJAI-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107032032
N-[(4-propan-2-ylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027298
N-(4-methylsulfanylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107035311
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022853
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107025304
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107023123
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027924
N-[(5-methylthiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107027830
N-(3-cyclopentylpropyl)-4-sulfanylthiophene-2-carboxamide
CID 114136943
N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide
CID 107022373

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide (CID 107023129) is N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide is CC(C)NC(=O)CNC(=O)c1cc(S)cs1.
What is the InChIKey of N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide?
The InChIKey is SLBJSDSZKCIJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-6(2)12-9(13)4-11-10(14)8-3-7(15)5-16-8/h3,5-6,15H,4H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide?
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107023129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).