(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide

C21H23F2N3O4S — CID 100528966

IUPAC(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C21H23F2N3O4S/c1-14(26(31(2,29)30)15-9-10-17(22)18(23)13-15)20(27)24-19-8-4-3-7-16(19)21(28)25-11-5-6-12-25/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,24,27)/t14-/m1/s1
InChIKeyIRYZMJXETQJAGJ-CQSZACIVSA-N
MW451.50 g/mol
LogP2.99
Rot. Bonds6

About (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide

(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 100528966) has the molecular formula C21H23F2N3O4S and a molecular weight of 451.50 g/mol. Its IUPAC name is (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID100528966
Molecular FormulaC21H23F2N3O4S
Molecular Weight451.50 g/mol
Exact Mass451.14
IUPAC Name(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C21H23F2N3O4S/c1-14(26(31(2,29)30)15-9-10-17(22)18(23)13-15)20(27)24-19-8-4-3-7-16(19)21(28)25-11-5-6-12-25/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,24,27)/t14-/m1/s1
InChIKeyIRYZMJXETQJAGJ-CQSZACIVSA-N
XLogP2.99
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 99131983
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40823003
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
CID 53285804
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
CID 99132009
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 99131874
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)propanamide
CID 99131992
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 126319620
2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 2239247
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 6500029
2-[[(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]amino]-N-propan-2-ylbenzamide
CID 2231853
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 99131979

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 100528966) is (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is IRYZMJXETQJAGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23F2N3O4S/c1-14(26(31(2,29)30)15-9-10-17(22)18(23)13-15)20(27)24-19-8-4-3-7-16(19)21(28)25-11-5-6-12-25/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3,(H,24,27)/t14-/m1/s1.
What are the key properties of (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 451.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 100528966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).