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

C20H22ClN3O4S — CID 11575714

IUPAC5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O
InChIInChI=1S/C20H22ClN3O4S/c1-13-10-14(23-6-8-27-9-7-23)2-3-16(13)24-12-15(28-20(24)26)11-22-19(25)17-4-5-18(21)29-17/h2-5,10,15H,6-9,11-12H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyOYFFEZUIIXCYJD-HNNXBMFYSA-N
MW435.93 g/mol
LogP3.30
Rot. Bonds5

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

5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 11575714) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID11575714
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O
InChIInChI=1S/C20H22ClN3O4S/c1-13-10-14(23-6-8-27-9-7-23)2-3-16(13)24-12-15(28-20(24)26)11-22-19(25)17-4-5-18(21)29-17/h2-5,10,15H,6-9,11-12H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeyOYFFEZUIIXCYJD-HNNXBMFYSA-N
XLogP3.30
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 11575714) is 5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is Cc1cc(N2CCOCC2)ccc1N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O.
What is the InChIKey of 5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is OYFFEZUIIXCYJD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-13-10-14(23-6-8-27-9-7-23)2-3-16(13)24-12-15(28-20(24)26)11-22-19(25)17-4-5-18(21)29-17/h2-5,10,15H,6-9,11-12H2,1H3,(H,22,25)/t15-/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 435.93 g/mol, XLogP of 3.30, 5 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-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 11575714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).