N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide

C18H22N2O4S2 — CID 9181718

IUPACN'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O4S2/c1-3-10-19-17(21)18(22)20-12-15(14-8-6-13(2)7-9-14)26(23,24)16-5-4-11-25-16/h4-9,11,15H,3,10,12H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyDETPRVXAOUJVQA-HNNXBMFYSA-N
MW394.52 g/mol
LogP2.21
Rot. Bonds7

About N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide

N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide (PubChem CID 9181718) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide
PubChem CID9181718
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O4S2/c1-3-10-19-17(21)18(22)20-12-15(14-8-6-13(2)7-9-14)26(23,24)16-5-4-11-25-16/h4-9,11,15H,3,10,12H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyDETPRVXAOUJVQA-HNNXBMFYSA-N
XLogP2.21
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide 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-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N'-propan-2-yloxamide
CID 9181738
N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
CID 22584108
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9181107
N'-cyclopropyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9181764
1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea
CID 9183165
3,4-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181348
3-methyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181313
dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium
CID 9180999
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-thiophen-2-ylsulfonylethyl]-N-methyloxamide
CID 9159087
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]butane-1-sulfonamide
CID 9181104
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181381
N'-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-N-prop-2-enyloxamide
CID 9182698

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide?
The IUPAC name of N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide (CID 9181718) is N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide.
What is the SMILES notation for N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide?
The canonical SMILES for N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide is CCCNC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide?
The InChIKey is DETPRVXAOUJVQA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-3-10-19-17(21)18(22)20-12-15(14-8-6-13(2)7-9-14)26(23,24)16-5-4-11-25-16/h4-9,11,15H,3,10,12H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide?
N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide has a molecular weight of 394.52 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide is sourced from PubChem (CID 9181718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).