N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide

C19H18N2O3S2 — CID 97106555

IUPACN-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCc2ccc([C@@H](O)c3cccs3)s2)c1
InChIInChI=1S/C19H18N2O3S2/c1-12-4-2-5-13(10-12)21-19(24)18(23)20-11-14-7-8-16(26-14)17(22)15-6-3-9-25-15/h2-10,17,22H,11H2,1H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyQASDYSJYIOCNCU-KRWDZBQOSA-N
MW386.50 g/mol
LogP3.45
Rot. Bonds5

About N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide

N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide (PubChem CID 97106555) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide
PubChem CID97106555
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC NameN-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCc2ccc([C@@H](O)c3cccs3)s2)c1
InChIInChI=1S/C19H18N2O3S2/c1-12-4-2-5-13(10-12)21-19(24)18(23)20-11-14-7-8-16(26-14)17(22)15-6-3-9-25-15/h2-10,17,22H,11H2,1H3,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeyQASDYSJYIOCNCU-KRWDZBQOSA-N
XLogP3.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 121133957
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90583751
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 71804691
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90583757
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 71804688
N'-(2-fluorophenyl)-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 97106557
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2,4,6-trimethylbenzamide
CID 90583475
N'-(3,5-dimethylphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 121133966
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide
CID 121133600
N-(1,3-benzodioxol-5-ylmethyl)-N'-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 97106574
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 90583483

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide (CID 97106555) is N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NCc2ccc([C@@H](O)c3cccs3)s2)c1.
What is the InChIKey of N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide?
The InChIKey is QASDYSJYIOCNCU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-12-4-2-5-13(10-12)21-19(24)18(23)20-11-14-7-8-16(26-14)17(22)15-6-3-9-25-15/h2-10,17,22H,11H2,1H3,(H,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide?
N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide has a molecular weight of 386.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 97106555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).