N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide

C15H18N2O4S3 — CID 22584108

IUPACN-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
SMILESCCCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H18N2O4S3/c1-2-7-16-14(18)15(19)17-10-12(11-5-3-8-22-11)24(20,21)13-6-4-9-23-13/h3-6,8-9,12H,2,7,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyMPEKFDWJKFMZSL-UHFFFAOYSA-N
MW386.52 g/mol
LogP1.97
Rot. Bonds7

About N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide

N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide (PubChem CID 22584108) has the molecular formula C15H18N2O4S3 and a molecular weight of 386.52 g/mol. Its IUPAC name is N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide.

Molecular Properties

Compound NameN-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
PubChem CID22584108
Molecular FormulaC15H18N2O4S3
Molecular Weight386.52 g/mol
Exact Mass386.04
IUPAC NameN-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
SMILESCCCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H18N2O4S3/c1-2-7-16-14(18)15(19)17-10-12(11-5-3-8-22-11)24(20,21)13-6-4-9-23-13/h3-6,8-9,12H,2,7,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyMPEKFDWJKFMZSL-UHFFFAOYSA-N
XLogP1.97
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide
CID 9181718
N-(furan-2-ylmethyl)-N'-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 27555177
2-phenyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 110315182
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 7268429
1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea
CID 9183165
2-(4-methoxyphenyl)-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 22584107
dimethyl-[3-[[2-oxo-2-[[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]amino]acetyl]amino]propyl]azanium
CID 9180999
N-(3-methylbutyl)-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22583997
1-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea
CID 9167607
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 27555302
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]oxamide
CID 22584641
N-ethyl-N'-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 9167673

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide?
The IUPAC name of N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide (CID 22584108) is N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide.
What is the SMILES notation for N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide?
The canonical SMILES for N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide is CCCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide?
The InChIKey is MPEKFDWJKFMZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S3/c1-2-7-16-14(18)15(19)17-10-12(11-5-3-8-22-11)24(20,21)13-6-4-9-23-13/h3-6,8-9,12H,2,7,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide?
N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide has a molecular weight of 386.52 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide is sourced from PubChem (CID 22584108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).