5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide

C18H18ClN3O6S2 — CID 11619782

IUPAC5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
SMILESO=C1COCCN1c1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C18H18ClN3O6S2/c19-15-5-6-17(29-15)30(25,26)20-9-14-10-22(18(24)28-14)13-3-1-12(2-4-13)21-7-8-27-11-16(21)23/h1-6,14,20H,7-11H2/t14-/m0/s1
InChIKeyCJUFNXYJEONNDC-AWEZNQCLSA-N
MW471.94 g/mol
LogP2.07
Rot. Bonds6

About 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide

5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide (PubChem CID 11619782) has the molecular formula C18H18ClN3O6S2 and a molecular weight of 471.94 g/mol. Its IUPAC name is 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
PubChem CID11619782
Molecular FormulaC18H18ClN3O6S2
Molecular Weight471.94 g/mol
Exact Mass471.03
IUPAC Name5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
SMILESO=C1COCCN1c1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(Cl)s3)OC2=O)cc1
InChIInChI=1S/C18H18ClN3O6S2/c19-15-5-6-17(29-15)30(25,26)20-9-14-10-22(18(24)28-14)13-3-1-12(2-4-13)21-7-8-27-11-16(21)23/h1-6,14,20H,7-11H2/t14-/m0/s1
InChIKeyCJUFNXYJEONNDC-AWEZNQCLSA-N
XLogP2.07
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

Rivaroxaban
CID 9875401
Rivaroxaban, Xarelto, BAY 59-7939
CID 6433119
5-Chloro-N-({(5S)-3-[3-fluoro-4-(3-oxomorpholin-4-yl)-phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
CID 11525292
5-Chloro-N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}thiophene-2-carboxamide
CID 10138114
5-chloro-N-[[(5S)-3-(4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10273747
5-Chloro-N-methyl-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
CID 11518043
Rivaroxaban, (R)-
CID 11524901
4-Amino-5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
CID 11554212
Rivaroxaban metabolite M8
CID 166708110
5-chloro-N-[[(5S)-3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10228089
5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070680
5-chloro-N-[[3-[4-[(2-methoxyacetyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070732

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide (CID 11619782) is 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide is O=C1COCCN1c1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(Cl)s3)OC2=O)cc1.
What is the InChIKey of 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is CJUFNXYJEONNDC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18ClN3O6S2/c19-15-5-6-17(29-15)30(25,26)20-9-14-10-22(18(24)28-14)13-3-1-12(2-4-13)21-7-8-27-11-16(21)23/h1-6,14,20H,7-11H2/t14-/m0/s1.
What are the key properties of 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide?
5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 471.94 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 11619782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).