N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide

C17H18N2O5S2 — CID 99999269

IUPACN-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)s1
InChIInChI=1S/C17H18N2O5S2/c1-2-13-8-9-16(25-13)26(22,23)18-14(12-6-4-3-5-7-12)10-19-15(20)11-24-17(19)21/h3-9,14,18H,2,10-11H2,1H3/t14-/m0/s1
InChIKeySZAPSAJMBMFTRF-AWEZNQCLSA-N
MW394.47 g/mol
LogP2.31
Rot. Bonds7

About N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide

N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 99999269) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide
PubChem CID99999269
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC NameN-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)s1
InChIInChI=1S/C17H18N2O5S2/c1-2-13-8-9-16(25-13)26(22,23)18-14(12-6-4-3-5-7-12)10-19-15(20)11-24-17(19)21/h3-9,14,18H,2,10-11H2,1H3/t14-/m0/s1
InChIKeySZAPSAJMBMFTRF-AWEZNQCLSA-N
XLogP2.31
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide (CID 99999269) is N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)s1.
What is the InChIKey of N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is SZAPSAJMBMFTRF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c1-2-13-8-9-16(25-13)26(22,23)18-14(12-6-4-3-5-7-12)10-19-15(20)11-24-17(19)21/h3-9,14,18H,2,10-11H2,1H3/t14-/m0/s1.
What are the key properties of N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide?
N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 394.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 99999269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).