(3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H22FN3O5S — CID 29133806

IUPAC(3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(F)cc2)CC1=O
InChIInChI=1S/C20H22FN3O5S/c1-29-18-5-3-2-4-17(18)24-13-14(12-19(24)25)20(26)22-10-11-23-30(27,28)16-8-6-15(21)7-9-16/h2-9,14,23H,10-13H2,1H3,(H,22,26)/t14-/m0/s1
InChIKeySAGSLYOMPUKXDS-AWEZNQCLSA-N
MW435.48 g/mol
LogP1.28
Rot. Bonds8

About (3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 29133806) has the molecular formula C20H22FN3O5S and a molecular weight of 435.48 g/mol. Its IUPAC name is (3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID29133806
Molecular FormulaC20H22FN3O5S
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC Name(3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(F)cc2)CC1=O
InChIInChI=1S/C20H22FN3O5S/c1-29-18-5-3-2-4-17(18)24-13-14(12-19(24)25)20(26)22-10-11-23-30(27,28)16-8-6-15(21)7-9-16/h2-9,14,23H,10-13H2,1H3,(H,22,26)/t14-/m0/s1
InChIKeySAGSLYOMPUKXDS-AWEZNQCLSA-N
XLogP1.28
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(2-methoxyphenyl)-N-[2-(3-methylbut-2-enoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97161779
(3R)-N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29132221
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24624710
N-[2-(4-aminophenyl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119549566
(3S)-N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29139321
(3R)-N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29138872
(3R)-1-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 39040356
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 702195
(3R)-N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29127931
1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
CID 55803413
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 24624650

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 29133806) is (3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1C[C@@H](C(=O)NCCNS(=O)(=O)c2ccc(F)cc2)CC1=O.
What is the InChIKey of (3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SAGSLYOMPUKXDS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22FN3O5S/c1-29-18-5-3-2-4-17(18)24-13-14(12-19(24)25)20(26)22-10-11-23-30(27,28)16-8-6-15(21)7-9-16/h2-9,14,23H,10-13H2,1H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 29133806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).