N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide

C15H16N2O4S3 — CID 22584109

IUPACN-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
SMILESC=CCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H16N2O4S3/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/h2-6,8-9,12H,1,7,10H2,(H,16,18)(H,17,19)
InChIKeyMBPXTVZSMAWILS-UHFFFAOYSA-N
MW384.50 g/mol
LogP1.74
Rot. Bonds7

About N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide

N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide (PubChem CID 22584109) has the molecular formula C15H16N2O4S3 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide.

Molecular Properties

Compound NameN-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
PubChem CID22584109
Molecular FormulaC15H16N2O4S3
Molecular Weight384.50 g/mol
Exact Mass384.03
IUPAC NameN-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
SMILESC=CCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H16N2O4S3/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/h2-6,8-9,12H,1,7,10H2,(H,16,18)(H,17,19)
InChIKeyMBPXTVZSMAWILS-UHFFFAOYSA-N
XLogP1.74
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[5-(aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylethyl]acetamide;hydrochloride
CID 138618957
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CID 6421749
N~1~-(thien-2-ylmethyl)-N~2~-(thien-2-ylsulfonyl)methioninamide
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N-(4-fluorobenzyl)-N'-[2-(2-thienyl)-2-(2-thienylsulfonyl)ethyl]ethanediamide
CID 16032166
N'-[2-(4-fluorophenyl)ethyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
CID 16032184
US10807974, Example 31
CID 130358176
(E)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 6224188
2-Benzenesulfonylamino-N-(tert-butylcarbamoyl-methyl)-N-thiophen-2-ylmethyl-acetamide
CID 3206812
N~1~-(thien-2-ylmethyl)-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3240953
N'-[(4-Methylphenyl)methyl]-N-[2-(thiophen-2-YL)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
CID 16032161
N'-(2-phenylethyl)-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
CID 16032213
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43133893

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide?
The IUPAC name of N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide (CID 22584109) is N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide.
What is the SMILES notation for N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide?
The canonical SMILES for N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide is C=CCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide?
The InChIKey is MBPXTVZSMAWILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S3/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/h2-6,8-9,12H,1,7,10H2,(H,16,18)(H,17,19).
What are the key properties of N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide?
N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide has a molecular weight of 384.50 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide is sourced from PubChem (CID 22584109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).