N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide

C26H25F2N3O4S — CID 157214071

IUPACN-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide
SMILESCc1ccc(CC(=O)C[C@@H]2CCN(c3ccc(-c4ccccc4NS(C)(=O)=O)c(F)c3F)C2=O)nc1
InChIInChI=1S/C26H25F2N3O4S/c1-16-7-8-18(29-15-16)14-19(32)13-17-11-12-31(26(17)33)23-10-9-21(24(27)25(23)28)20-5-3-4-6-22(20)30-36(2,34)35/h3-10,15,17,30H,11-14H2,1-2H3/t17-/m0/s1
InChIKeyRXQKOLDYJRGOCZ-KRWDZBQOSA-N
MW513.57 g/mol
LogP4.26
Rot. Bonds8

About N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide

N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide (PubChem CID 157214071) has the molecular formula C26H25F2N3O4S and a molecular weight of 513.57 g/mol. Its IUPAC name is N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide
PubChem CID157214071
Molecular FormulaC26H25F2N3O4S
Molecular Weight513.57 g/mol
Exact Mass513.15
IUPAC NameN-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide
SMILESCc1ccc(CC(=O)C[C@@H]2CCN(c3ccc(-c4ccccc4NS(C)(=O)=O)c(F)c3F)C2=O)nc1
InChIInChI=1S/C26H25F2N3O4S/c1-16-7-8-18(29-15-16)14-19(32)13-17-11-12-31(26(17)33)23-10-9-21(24(27)25(23)28)20-5-3-4-6-22(20)30-36(2,34)35/h3-10,15,17,30H,11-14H2,1-2H3/t17-/m0/s1
InChIKeyRXQKOLDYJRGOCZ-KRWDZBQOSA-N
XLogP4.26
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.57
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16223803
N-[[2-cyclohexyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873654
N-[[2-[(E)-2-cyclohexylethenyl]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873756
(2S)-N-[[2-cyclohexyl-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 118707573
N-[[6-tert-butyl-2-(4-fluorophenyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 137650773
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16224037
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16224445
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[4-phenyl-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 16225242
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-phenyl-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25063601
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 25063712
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[3-piperidin-1-yl-5-(trifluoromethyl)pyridin-2-yl]methyl]propanamide
CID 25063748
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[2-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873286

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide (CID 157214071) is N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide is Cc1ccc(CC(=O)C[C@@H]2CCN(c3ccc(-c4ccccc4NS(C)(=O)=O)c(F)c3F)C2=O)nc1.
What is the InChIKey of N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide?
The InChIKey is RXQKOLDYJRGOCZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H25F2N3O4S/c1-16-7-8-18(29-15-16)14-19(32)13-17-11-12-31(26(17)33)23-10-9-21(24(27)25(23)28)20-5-3-4-6-22(20)30-36(2,34)35/h3-10,15,17,30H,11-14H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide?
N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide has a molecular weight of 513.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,3-difluoro-4-[(3S)-3-[3-(5-methyl-2-pyridinyl)-2-oxopropyl]-2-oxopyrrolidin-1-yl]phenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 157214071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).