(3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C24H22ClN3O5S — CID 30873940

IUPAC(3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)Nc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)CC2=O)cc1
InChIInChI=1S/C24H22ClN3O5S/c1-33-21-9-7-20(8-10-21)28-15-16(13-23(28)29)24(30)26-18-3-2-4-19(14-18)27-34(31,32)22-11-5-17(25)6-12-22/h2-12,14,16,27H,13,15H2,1H3,(H,26,30)/t16-/m1/s1
InChIKeyBTQYQFKYZKBOMF-MRXNPFEDSA-N
MW499.98 g/mol
LogP4.14
Rot. Bonds7

About (3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 30873940) has the molecular formula C24H22ClN3O5S and a molecular weight of 499.98 g/mol. Its IUPAC name is (3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID30873940
Molecular FormulaC24H22ClN3O5S
Molecular Weight499.98 g/mol
Exact Mass499.10
IUPAC Name(3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)Nc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)CC2=O)cc1
InChIInChI=1S/C24H22ClN3O5S/c1-33-21-9-7-20(8-10-21)28-15-16(13-23(28)29)24(30)26-18-3-2-4-19(14-18)27-34(31,32)22-11-5-17(25)6-12-22/h2-12,14,16,27H,13,15H2,1H3,(H,26,30)/t16-/m1/s1
InChIKeyBTQYQFKYZKBOMF-MRXNPFEDSA-N
XLogP4.14
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46465356
(3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932410
N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569025
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
3-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 95180907
methyl (3R)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 100804998
N-[3-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785662
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
1-(4-chlorophenyl)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55852191
2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351791
(3R)-N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7316360

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 30873940) is (3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)Nc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)CC2=O)cc1.
What is the InChIKey of (3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BTQYQFKYZKBOMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22ClN3O5S/c1-33-21-9-7-20(8-10-21)28-15-16(13-23(28)29)24(30)26-18-3-2-4-19(14-18)27-34(31,32)22-11-5-17(25)6-12-22/h2-12,14,16,27H,13,15H2,1H3,(H,26,30)/t16-/m1/s1.
What are the key properties of (3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 499.98 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 30873940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).