N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide

C19H18F2N2O4S — CID 139474435

IUPACN-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2ccc(-c3ccccc3S(C)(=O)=O)c(F)c2F)C1=O
InChIInChI=1S/C19H18F2N2O4S/c1-11(24)22-14-9-10-23(19(14)25)15-8-7-13(17(20)18(15)21)12-5-3-4-6-16(12)28(2,26)27/h3-8,14H,9-10H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyQPKRIPDNRYXJKB-CQSZACIVSA-N
MW408.43 g/mol
LogP2.28
Rot. Bonds4

About N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide

N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 139474435) has the molecular formula C19H18F2N2O4S and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide
PubChem CID139474435
Molecular FormulaC19H18F2N2O4S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC NameN-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(c2ccc(-c3ccccc3S(C)(=O)=O)c(F)c2F)C1=O
InChIInChI=1S/C19H18F2N2O4S/c1-11(24)22-14-9-10-23(19(14)25)15-8-7-13(17(20)18(15)21)12-5-3-4-6-16(12)28(2,26)27/h3-8,14H,9-10H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyQPKRIPDNRYXJKB-CQSZACIVSA-N
XLogP2.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methylsulfonimidoyl)phenyl]phenyl]-2-oxopiperidin-3-yl]urea
CID 142493606
1-[(3R)-1-[2,3-difluoro-4-[2-(methylsulfonylmethyl)phenyl]phenyl]-2-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 148871964
1-(4-chloro-2,6-difluorophenyl)-3-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]urea
CID 139454856
1-[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopyrrolidin-3-yl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]urea
CID 139455080
N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide
CID 22313526
[5-[[(3R)-1-[2,3-difluoro-4-[2-(methanesulfonamido)phenyl]phenyl]-2-oxopiperidin-3-yl]carbamoylamino]pyrazin-2-yl]chloranium
CID 142493694
N-[1-[4-[2-(dimethylamino)-3-pyridinyl]-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]butanamide
CID 139474750
N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide
CID 166883357
1-(4-chlorophenyl)-3-[(3R)-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]urea
CID 129227177
1-[(3R)-1-[2,3-difluoro-4-[2-(hydroxymethyl)phenyl]phenyl]-2-oxopyrrolidin-3-yl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]urea
CID 139454947
[1-[4-(2-dimethylphosphorylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 139451019
1-[4-(2-dimethylphosphoryl-3-pyridinyl)-2,3-difluorophenyl]-3-(methylamino)pyrrolidin-2-one
CID 166883510

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide (CID 139474435) is N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(c2ccc(-c3ccccc3S(C)(=O)=O)c(F)c2F)C1=O.
What is the InChIKey of N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is QPKRIPDNRYXJKB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18F2N2O4S/c1-11(24)22-14-9-10-23(19(14)25)15-8-7-13(17(20)18(15)21)12-5-3-4-6-16(12)28(2,26)27/h3-8,14H,9-10H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide?
N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 408.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 139474435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).