5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C18H16ClN3O5S — CID 58777694

IUPAC5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCN1C(=O)COc2cc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)ccc21
InChIInChI=1S/C18H16ClN3O5S/c1-21-12-3-2-10(6-13(12)26-9-16(21)23)22-8-11(27-18(22)25)7-20-17(24)14-4-5-15(19)28-14/h2-6,11H,7-9H2,1H3,(H,20,24)/t11-/m0/s1
InChIKeyZOJJEZDOSBSXLZ-NSHDSACASA-N
MW421.86 g/mol
LogP2.51
Rot. Bonds4

About 5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 58777694) has the molecular formula C18H16ClN3O5S and a molecular weight of 421.86 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID58777694
Molecular FormulaC18H16ClN3O5S
Molecular Weight421.86 g/mol
Exact Mass421.05
IUPAC Name5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCN1C(=O)COc2cc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)ccc21
InChIInChI=1S/C18H16ClN3O5S/c1-21-12-3-2-10(6-13(12)26-9-16(21)23)22-8-11(27-18(22)25)7-20-17(24)14-4-5-15(19)28-14/h2-6,11H,7-9H2,1H3,(H,20,24)/t11-/m0/s1
InChIKeyZOJJEZDOSBSXLZ-NSHDSACASA-N
XLogP2.51
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 58777694) is 5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CN1C(=O)COc2cc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)ccc21.
What is the InChIKey of 5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ZOJJEZDOSBSXLZ-NSHDSACASA-N. The full InChI is InChI=1S/C18H16ClN3O5S/c1-21-12-3-2-10(6-13(12)26-9-16(21)23)22-8-11(27-18(22)25)7-20-17(24)14-4-5-15(19)28-14/h2-6,11H,7-9H2,1H3,(H,20,24)/t11-/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 421.86 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(5S)-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 58777694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).