N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide

C16H18N2O4S2 — CID 22584024

IUPACN-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
SMILESCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4S2/c1-11-5-7-12(8-6-11)24(21,22)14(13-4-3-9-23-13)10-18-16(20)15(19)17-2/h3-9,14H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQCPPNZGNRJRHDR-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.43
Rot. Bonds5

About N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide

N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide (PubChem CID 22584024) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
PubChem CID22584024
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
SMILESCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4S2/c1-11-5-7-12(8-6-11)24(21,22)14(13-4-3-9-23-13)10-18-16(20)15(19)17-2/h3-9,14H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQCPPNZGNRJRHDR-UHFFFAOYSA-N
XLogP1.43
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(4-(aminosulfonyl)phenyl)ethyl)-2-(2-thienyl)acetamide
CID 670786
N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
N'-[(2-methylphenyl)methyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
CID 16032240
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
N-(2-phenylethyl)-4-[(thien-2-ylsulfonyl)amino]butanamide
CID 16194039
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide
CID 2449456
N-(tert-Butylcarbamoyl-methyl)-N-thiophen-2-ylmethyl-2-(toluene-4-sulfonylamino)-acetamide
CID 3206927
3-[(4-methylbenzyl)sulfonyl]-N-(thien-2-ylmethyl)propanamide
CID 3241727
3-phenyl-N-(4-phenylbutan-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 4084131

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide?
The IUPAC name of N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide (CID 22584024) is N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide.
What is the SMILES notation for N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide?
The canonical SMILES for N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide is CNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide?
The InChIKey is QCPPNZGNRJRHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-11-5-7-12(8-6-11)24(21,22)14(13-4-3-9-23-13)10-18-16(20)15(19)17-2/h3-9,14H,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide?
N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide has a molecular weight of 366.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide is sourced from PubChem (CID 22584024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).