(5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate

C20H19Br2N3O5S — CID 69380101

IUPAC(5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate
SMILESCC1C(=O)N(c2ccc(N3C(=O)OCC3C)c(Br)c2)CC1NC(=O)Oc1ccc(Br)s1
InChIInChI=1S/C20H19Br2N3O5S/c1-10-9-29-20(28)25(10)15-4-3-12(7-13(15)21)24-8-14(11(2)18(24)26)23-19(27)30-17-6-5-16(22)31-17/h3-7,10-11,14H,8-9H2,1-2H3,(H,23,27)
InChIKeyATCZCLZZGKSAIR-UHFFFAOYSA-N
MW573.26 g/mol
LogP4.76
Rot. Bonds4

About (5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate

(5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 69380101) has the molecular formula C20H19Br2N3O5S and a molecular weight of 573.26 g/mol. Its IUPAC name is (5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name(5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate
PubChem CID69380101
Molecular FormulaC20H19Br2N3O5S
Molecular Weight573.26 g/mol
Exact Mass570.94
IUPAC Name(5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate
SMILESCC1C(=O)N(c2ccc(N3C(=O)OCC3C)c(Br)c2)CC1NC(=O)Oc1ccc(Br)s1
InChIInChI=1S/C20H19Br2N3O5S/c1-10-9-29-20(28)25(10)15-4-3-12(7-13(15)21)24-8-14(11(2)18(24)26)23-19(27)30-17-6-5-16(22)31-17/h3-7,10-11,14H,8-9H2,1-2H3,(H,23,27)
InChIKeyATCZCLZZGKSAIR-UHFFFAOYSA-N
XLogP4.76
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.26
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of (5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate (CID 69380101) is (5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for (5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for (5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate is CC1C(=O)N(c2ccc(N3C(=O)OCC3C)c(Br)c2)CC1NC(=O)Oc1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is ATCZCLZZGKSAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br2N3O5S/c1-10-9-29-20(28)25(10)15-4-3-12(7-13(15)21)24-8-14(11(2)18(24)26)23-19(27)30-17-6-5-16(22)31-17/h3-7,10-11,14H,8-9H2,1-2H3,(H,23,27).
What are the key properties of (5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate?
(5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 573.26 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl) N-[1-[3-bromo-4-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-methyl-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 69380101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).