N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide

C14H14N2O3S2 — CID 97257633

IUPACN'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESC[S@](=O)c1ccc(NC(=O)C(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H14N2O3S2/c1-21(19)12-6-4-10(5-7-12)16-14(18)13(17)15-9-11-3-2-8-20-11/h2-8H,9H2,1H3,(H,15,17)(H,16,18)/t21-/m0/s1
InChIKeyXSHQVDFDRMZHQT-NRFANRHFSA-N
MW322.41 g/mol
LogP1.74
Rot. Bonds4

About N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 97257633) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID97257633
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESC[S@](=O)c1ccc(NC(=O)C(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H14N2O3S2/c1-21(19)12-6-4-10(5-7-12)16-14(18)13(17)15-9-11-3-2-8-20-11/h2-8H,9H2,1H3,(H,15,17)(H,16,18)/t21-/m0/s1
InChIKeyXSHQVDFDRMZHQT-NRFANRHFSA-N
XLogP1.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N'-(3,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 7292734
N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47148033
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
N'-(3-cyano-5-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 139833872
2-(4-acetamidophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9363258
N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833835
N'-(2,3-difluorophenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47457450
N'-(3-methoxy-5-nitrophenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 139833853
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide
CID 7657511
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3220610
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide (CID 97257633) is N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide is C[S@](=O)c1ccc(NC(=O)C(=O)NCc2cccs2)cc1.
What is the InChIKey of N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is XSHQVDFDRMZHQT-NRFANRHFSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-21(19)12-6-4-10(5-7-12)16-14(18)13(17)15-9-11-3-2-8-20-11/h2-8H,9H2,1H3,(H,15,17)(H,16,18)/t21-/m0/s1.
What are the key properties of N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 322.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(S)-methylsulfinyl]phenyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 97257633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).