N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide

C19H18N2O4S2 — CID 124760027

IUPACN-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide
SMILESCSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccoc1)c1cccs1
InChIInChI=1S/C19H18N2O4S2/c1-26-15-6-3-2-5-14(15)21-18(23)17(22)20-12-19(24,13-8-9-25-11-13)16-7-4-10-27-16/h2-11,24H,12H2,1H3,(H,20,22)(H,21,23)/t19-/m1/s1
InChIKeyIXOXUKINCVPNLB-LJQANCHMSA-N
MW402.50 g/mol
LogP3.05
Rot. Bonds6

About N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide

N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide (PubChem CID 124760027) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide
PubChem CID124760027
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC NameN-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide
SMILESCSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccoc1)c1cccs1
InChIInChI=1S/C19H18N2O4S2/c1-26-15-6-3-2-5-14(15)21-18(23)17(22)20-12-19(24,13-8-9-25-11-13)16-7-4-10-27-16/h2-11,24H,12H2,1H3,(H,20,22)(H,21,23)/t19-/m1/s1
InChIKeyIXOXUKINCVPNLB-LJQANCHMSA-N
XLogP3.05
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002
2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 129416706
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 121018502
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 126852465
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
CID 171130567
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
CID 124727787
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 121018444
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide
CID 129418180
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
CID 124892781
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 124728029
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 119101200

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide (CID 124760027) is N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide is CSc1ccccc1NC(=O)C(=O)NC[C@@](O)(c1ccoc1)c1cccs1.
What is the InChIKey of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide?
The InChIKey is IXOXUKINCVPNLB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-26-15-6-3-2-5-14(15)21-18(23)17(22)20-12-19(24,13-8-9-25-11-13)16-7-4-10-27-16/h2-11,24H,12H2,1H3,(H,20,22)(H,21,23)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide?
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide has a molecular weight of 402.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-(2-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 124760027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).