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

C20H17ClN4O5S2 — CID 59466497

IUPAC[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)O[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O
InChIInChI=1S/C20H17ClN4O5S2/c21-13-2-1-3-14(12-13)23-20(27)30-17-8-10-25(18(17)26)15-4-6-16(7-5-15)32(28,29)24-19-22-9-11-31-19/h1-7,9,11-12,17H,8,10H2,(H,22,24)(H,23,27)/t17-/m0/s1
InChIKeyDSSYXMPBUWSLEL-KRWDZBQOSA-N
MW492.97 g/mol
LogP3.95
Rot. Bonds6

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

[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate (PubChem CID 59466497) has the molecular formula C20H17ClN4O5S2 and a molecular weight of 492.97 g/mol. Its IUPAC name is [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate
PubChem CID59466497
Molecular FormulaC20H17ClN4O5S2
Molecular Weight492.97 g/mol
Exact Mass492.03
IUPAC Name[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)O[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O
InChIInChI=1S/C20H17ClN4O5S2/c21-13-2-1-3-14(12-13)23-20(27)30-17-8-10-25(18(17)26)15-4-6-16(7-5-15)32(28,29)24-19-22-9-11-31-19/h1-7,9,11-12,17H,8,10H2,(H,22,24)(H,23,27)/t17-/m0/s1
InChIKeyDSSYXMPBUWSLEL-KRWDZBQOSA-N
XLogP3.95
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 53.95
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-methylphenyl)carbamate
CID 58215333
molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2-chlorophenyl)carbamate
CID 159320601
4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 161476283
4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215217
4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 75078988
4-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158509244
4-[3-(3-cyanophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215452
4-[2-oxo-3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465808
4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159642068
4-[3-(4-cyanophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215082
molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 160786597
4-[(3S)-2-oxo-3-pyrrolidin-1-ylpyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 88538161

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-chlorophenyl)carbamate?
The IUPAC name of [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate (CID 59466497) is [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate?
The canonical SMILES for [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)O[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O.
What is the InChIKey of [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate?
The InChIKey is DSSYXMPBUWSLEL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17ClN4O5S2/c21-13-2-1-3-14(12-13)23-20(27)30-17-8-10-25(18(17)26)15-4-6-16(7-5-15)32(28,29)24-19-22-9-11-31-19/h1-7,9,11-12,17H,8,10H2,(H,22,24)(H,23,27)/t17-/m0/s1.
What are the key properties of [(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate?
[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate has a molecular weight of 492.97 g/mol, XLogP of 3.95, 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-chlorophenyl)carbamate is sourced from PubChem (CID 59466497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).