5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide

C20H15Cl3N4O4S — CID 141449821

IUPAC5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(Cl)n1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(Cl)c1
InChIInChI=1S/C20H15Cl3N4O4S/c21-12-7-10(27-14(18(24)28)3-5-16(27)22)1-2-13(12)26-9-11(31-20(26)30)8-25-19(29)15-4-6-17(23)32-15/h1-7,11H,8-9H2,(H2,24,28)(H,25,29)/t11-/m0/s1
InChIKeyGQISUKAGFSYBHD-NSHDSACASA-N
MW513.79 g/mol
LogP4.35
Rot. Bonds6

About 5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide

5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide (PubChem CID 141449821) has the molecular formula C20H15Cl3N4O4S and a molecular weight of 513.79 g/mol. Its IUPAC name is 5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide
PubChem CID141449821
Molecular FormulaC20H15Cl3N4O4S
Molecular Weight513.79 g/mol
Exact Mass511.99
IUPAC Name5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide
SMILESNC(=O)c1ccc(Cl)n1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(Cl)c1
InChIInChI=1S/C20H15Cl3N4O4S/c21-12-7-10(27-14(18(24)28)3-5-16(27)22)1-2-13(12)26-9-11(31-20(26)30)8-25-19(29)15-4-6-17(23)32-15/h1-7,11H,8-9H2,(H2,24,28)(H,25,29)/t11-/m0/s1
InChIKeyGQISUKAGFSYBHD-NSHDSACASA-N
XLogP4.35
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.79
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide with MolForge

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Related Compounds

5-chloro-1-[4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-3-fluorophenyl]pyrrole-2-carboxamide
CID 141449810
5-chloro-N-[[3-(3-chloro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070740
5-chloro-N-[[3-[3-chloro-4-(2-methyl-5-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070697
N-[[3-(4-amino-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 90654078
N-[[3-[4-[(carbamoylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 21070785
5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10158209
N-[[(5S)-3-[4-[(2Z)-2-(1-aminoethylidene)hydrazinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 172932964
5-chloro-N-[[3-[3-fluoro-4-(2-oxo-1,3-oxazinan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 118150777
5-chloro-N-[[3-[4-(methoxyamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142207900
5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260
5-chloro-N-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 21070746
5-chloro-N-[[3-[3-(cyclopropanecarbonylamino)-4-pyrrolidin-1-ylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58777707

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide?
The IUPAC name of 5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide (CID 141449821) is 5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide is NC(=O)c1ccc(Cl)n1-c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)c(Cl)c1.
What is the InChIKey of 5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide?
The InChIKey is GQISUKAGFSYBHD-NSHDSACASA-N. The full InChI is InChI=1S/C20H15Cl3N4O4S/c21-12-7-10(27-14(18(24)28)3-5-16(27)22)1-2-13(12)26-9-11(31-20(26)30)8-25-19(29)15-4-6-17(23)32-15/h1-7,11H,8-9H2,(H2,24,28)(H,25,29)/t11-/m0/s1.
What are the key properties of 5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide?
5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide has a molecular weight of 513.79 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[3-chloro-4-[(5S)-5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 141449821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).