N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

C17H18N2O4S2 — CID 51929199

IUPACN-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1)c1cccs1
InChIInChI=1S/C17H18N2O4S2/c20-16(14-7-4-9-24-14)19-15(12-5-2-1-3-6-12)17(21)18-13-8-10-25(22,23)11-13/h1-7,9,13,15H,8,10-11H2,(H,18,21)(H,19,20)/t13-,15-/m1/s1
InChIKeyNXTDDOHJKGHYNE-UKRRQHHQSA-N
MW378.48 g/mol
LogP1.52
Rot. Bonds5

About N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 51929199) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
PubChem CID51929199
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC NameN-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1)c1cccs1
InChIInChI=1S/C17H18N2O4S2/c20-16(14-7-4-9-24-14)19-15(12-5-2-1-3-6-12)17(21)18-13-8-10-25(22,23)11-13/h1-7,9,13,15H,8,10-11H2,(H,18,21)(H,19,20)/t13-,15-/m1/s1
InChIKeyNXTDDOHJKGHYNE-UKRRQHHQSA-N
XLogP1.52
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

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3-amino-N-(1,1-dioxothiolan-3-yl)-2-phenylpropanamide;hydrochloride
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CID 31697369
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2,2-diphenylacetate
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1,1-dioxo-N-[phenyl(thiophen-2-yl)methyl]thiolane-3-carboxamide
CID 18090427
N-[(3S)-1,1-dioxothiolan-3-yl]-3-phenylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (CID 51929199) is N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is O=C(N[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1)c1cccs1.
What is the InChIKey of N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is NXTDDOHJKGHYNE-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c20-16(14-7-4-9-24-14)19-15(12-5-2-1-3-6-12)17(21)18-13-8-10-25(22,23)11-13/h1-7,9,13,15H,8,10-11H2,(H,18,21)(H,19,20)/t13-,15-/m1/s1.
What are the key properties of N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 51929199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).