5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C19H20ClN3O5S2 — CID 21070680

IUPAC5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CN(c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C19H20ClN3O5S2/c20-17-8-7-16(29-17)18(24)21-11-14-12-23(19(25)28-14)13-3-5-15(6-4-13)30(26,27)22-9-1-2-10-22/h3-8,14H,1-2,9-12H2,(H,21,24)
InChIKeyOAJGJVSOQZSABH-UHFFFAOYSA-N
MW469.97 g/mol
LogP2.94
Rot. Bonds6

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

5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 21070680) has the molecular formula C19H20ClN3O5S2 and a molecular weight of 469.97 g/mol. Its IUPAC name is 5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID21070680
Molecular FormulaC19H20ClN3O5S2
Molecular Weight469.97 g/mol
Exact Mass469.05
IUPAC Name5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CN(c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C19H20ClN3O5S2/c20-17-8-7-16(29-17)18(24)21-11-14-12-23(19(25)28-14)13-3-5-15(6-4-13)30(26,27)22-9-1-2-10-22/h3-8,14H,1-2,9-12H2,(H,21,24)
InChIKeyOAJGJVSOQZSABH-UHFFFAOYSA-N
XLogP2.94
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 21070680) is 5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NCC1CN(c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is OAJGJVSOQZSABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5S2/c20-17-8-7-16(29-17)18(24)21-11-14-12-23(19(25)28-14)13-3-5-15(6-4-13)30(26,27)22-9-1-2-10-22/h3-8,14H,1-2,9-12H2,(H,21,24).
What are the key properties of 5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 469.97 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-oxo-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 21070680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).