5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C19H20ClN3O6S — CID 46782891

IUPAC5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N(CCO)C(=O)CO)cc2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C19H20ClN3O6S/c20-16-6-5-15(30-16)18(27)21-9-14-10-23(19(28)29-14)13-3-1-12(2-4-13)22(7-8-24)17(26)11-25/h1-6,14,24-25H,7-11H2,(H,21,27)/t14-/m0/s1
InChIKeyZZABLIJBKARJCB-AWEZNQCLSA-N
MW453.90 g/mol
LogP1.47
Rot. Bonds8

About 5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 46782891) has the molecular formula C19H20ClN3O6S and a molecular weight of 453.90 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID46782891
Molecular FormulaC19H20ClN3O6S
Molecular Weight453.90 g/mol
Exact Mass453.08
IUPAC Name5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N(CCO)C(=O)CO)cc2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C19H20ClN3O6S/c20-16-6-5-15(30-16)18(27)21-9-14-10-23(19(28)29-14)13-3-1-12(2-4-13)22(7-8-24)17(26)11-25/h1-6,14,24-25H,7-11H2,(H,21,27)/t14-/m0/s1
InChIKeyZZABLIJBKARJCB-AWEZNQCLSA-N
XLogP1.47
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.90
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 46782891) is 5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1CN(c2ccc(N(CCO)C(=O)CO)cc2)C(=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ZZABLIJBKARJCB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20ClN3O6S/c20-16-6-5-15(30-16)18(27)21-9-14-10-23(19(28)29-14)13-3-1-12(2-4-13)22(7-8-24)17(26)11-25/h1-6,14,24-25H,7-11H2,(H,21,27)/t14-/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 453.90 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(5S)-3-[4-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46782891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).