N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide

C15H18N2O3S2 — CID 47051551

IUPACN-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCCSCc1cccs1
InChIInChI=1S/C15H18N2O3S2/c1-11(17-15(19)12-4-6-20-9-12)14(18)16-5-8-21-10-13-3-2-7-22-13/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyDLDBBGZXXMOIRB-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.51
Rot. Bonds8

About N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide

N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide (PubChem CID 47051551) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide
PubChem CID47051551
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCCSCc1cccs1
InChIInChI=1S/C15H18N2O3S2/c1-11(17-15(19)12-4-6-20-9-12)14(18)16-5-8-21-10-13-3-2-7-22-13/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyDLDBBGZXXMOIRB-UHFFFAOYSA-N
XLogP2.51
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
4-[(propan-2-ylcarbamoylamino)methyl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 9472075
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
4-iodo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46684444
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
1-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide
CID 18086697
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
(2R)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95592122
5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
CID 46516732
N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 110898699
(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide (CID 47051551) is N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)NCCSCc1cccs1.
What is the InChIKey of N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide?
The InChIKey is DLDBBGZXXMOIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-11(17-15(19)12-4-6-20-9-12)14(18)16-5-8-21-10-13-3-2-7-22-13/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide?
N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 47051551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).