[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate

C17H20N2O6S3 — CID 55485219

IUPAC[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
SMILESCC(NC(=O)c1cccs1)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1
InChIInChI=1S/C17H20N2O6S3/c1-11(19-16(21)15-4-3-9-26-15)17(22)25-10-13(20)14-6-5-12(27-14)7-8-18-28(2,23)24/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,19,21)
InChIKeyINYBUIKAMGQRKI-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.45
Rot. Bonds10

About [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate

[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate (PubChem CID 55485219) has the molecular formula C17H20N2O6S3 and a molecular weight of 444.56 g/mol. Its IUPAC name is [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
PubChem CID55485219
Molecular FormulaC17H20N2O6S3
Molecular Weight444.56 g/mol
Exact Mass444.05
IUPAC Name[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
SMILESCC(NC(=O)c1cccs1)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1
InChIInChI=1S/C17H20N2O6S3/c1-11(19-16(21)15-4-3-9-26-15)17(22)25-10-13(20)14-6-5-12(27-14)7-8-18-28(2,23)24/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,19,21)
InChIKeyINYBUIKAMGQRKI-UHFFFAOYSA-N
XLogP1.45
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55934875
5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide
CID 39446434
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 46646082
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate
CID 75386503
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 55448822
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 26971328
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484501
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27313704
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] adamantane-2-carboxylate
CID 55449045
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 43034279

Frequently Asked Questions

What is the IUPAC name of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate (CID 55485219) is [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate is CC(NC(=O)c1cccs1)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1.
What is the InChIKey of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is INYBUIKAMGQRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S3/c1-11(19-16(21)15-4-3-9-26-15)17(22)25-10-13(20)14-6-5-12(27-14)7-8-18-28(2,23)24/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,19,21).
What are the key properties of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate?
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 444.56 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 55485219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).