[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate

C21H20N4O5S2 — CID 58215333

IUPAC[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)O[C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1
InChIInChI=1S/C21H20N4O5S2/c1-14-3-2-4-15(13-14)23-21(27)30-18-9-11-25(19(18)26)16-5-7-17(8-6-16)32(28,29)24-20-22-10-12-31-20/h2-8,10,12-13,18H,9,11H2,1H3,(H,22,24)(H,23,27)/t18-/m0/s1
InChIKeyMYUDWFKLICMEPQ-SFHVURJKSA-N
MW472.55 g/mol
LogP3.61
Rot. Bonds6

About [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate

[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate (PubChem CID 58215333) has the molecular formula C21H20N4O5S2 and a molecular weight of 472.55 g/mol. Its IUPAC name is [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate
PubChem CID58215333
Molecular FormulaC21H20N4O5S2
Molecular Weight472.55 g/mol
Exact Mass472.09
IUPAC Name[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)O[C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1
InChIInChI=1S/C21H20N4O5S2/c1-14-3-2-4-15(13-14)23-21(27)30-18-9-11-25(19(18)26)16-5-7-17(8-6-16)32(28,29)24-20-22-10-12-31-20/h2-8,10,12-13,18H,9,11H2,1H3,(H,22,24)(H,23,27)/t18-/m0/s1
InChIKeyMYUDWFKLICMEPQ-SFHVURJKSA-N
XLogP3.61
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate
CID 59466497
molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2-chlorophenyl)carbamate
CID 159320601
4-[3-(3-cyanophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215452
4-[3-[2-(3-methylphenyl)ethylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59466126
4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215217
molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 160786597
4-[2-oxo-3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465808
4-[3-(4-cyanophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215082
4-(3-ethyl-2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 90767532
4-[(3S)-2-oxo-3-pyrrolidin-1-ylpyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 88538161
4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 161476283
4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159642068

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate?
The IUPAC name of [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate (CID 58215333) is [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate.
What is the SMILES notation for [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate?
The canonical SMILES for [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)O[C@H]2CCN(c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1.
What is the InChIKey of [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate?
The InChIKey is MYUDWFKLICMEPQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N4O5S2/c1-14-3-2-4-15(13-14)23-21(27)30-18-9-11-25(19(18)26)16-5-7-17(8-6-16)32(28,29)24-20-22-10-12-31-20/h2-8,10,12-13,18H,9,11H2,1H3,(H,22,24)(H,23,27)/t18-/m0/s1.
What are the key properties of [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate?
[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate has a molecular weight of 472.55 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-methylphenyl)carbamate is sourced from PubChem (CID 58215333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).