5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide

C32H27F3N4O4S — CID 163773894

IUPAC5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESCS(=O)(=O)c1ccc2[nH]cc(CC(=O)NC[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc(F)c(C(N)=O)c3)c2c1
InChIInChI=1S/C32H27F3N4O4S/c1-44(42,43)24-5-7-29-26(15-24)20(16-38-29)13-30(40)39-17-21(9-18-10-22(33)14-23(34)11-18)31-25(3-2-8-37-31)19-4-6-28(35)27(12-19)32(36)41/h2-8,10-12,14-16,21,38H,9,13,17H2,1H3,(H2,36,41)(H,39,40)/t21-/m1/s1
InChIKeyMISWWRDPBQYMRC-OAQYLSRUSA-N
MW620.65 g/mol
LogP4.83
Rot. Bonds10

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide

5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide (PubChem CID 163773894) has the molecular formula C32H27F3N4O4S and a molecular weight of 620.65 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide
PubChem CID163773894
Molecular FormulaC32H27F3N4O4S
Molecular Weight620.65 g/mol
Exact Mass620.17
IUPAC Name5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide
SMILESCS(=O)(=O)c1ccc2[nH]cc(CC(=O)NC[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc(F)c(C(N)=O)c3)c2c1
InChIInChI=1S/C32H27F3N4O4S/c1-44(42,43)24-5-7-29-26(15-24)20(16-38-29)13-30(40)39-17-21(9-18-10-22(33)14-23(34)11-18)31-25(3-2-8-37-31)19-4-6-28(35)27(12-19)32(36)41/h2-8,10-12,14-16,21,38H,9,13,17H2,1H3,(H2,36,41)(H,39,40)/t21-/m1/s1
InChIKeyMISWWRDPBQYMRC-OAQYLSRUSA-N
XLogP4.83
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.65
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide 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

N-(benzenesulfonyl)-3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-indole-7-carboxamide
CID 507844
N-ethyl-4-[5-ethylsulfonyl-2-(1H-indol-7-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155558268
N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66610342
N-[[4-(4-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 66613538
N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 68277248
N-[[4-(3-methylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 68277393
N-[[4-(3,4-difluorophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 68277544
N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 68277645
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72705461
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 2435938
N-ethyl-4-[5-ethylsulfonyl-2-(7-methylindol-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155516682
N-ethyl-4-(5-ethylsulfonyl-2-indol-1-ylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155567978

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide (CID 163773894) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide is CS(=O)(=O)c1ccc2[nH]cc(CC(=O)NC[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc(F)c(C(N)=O)c3)c2c1.
What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is MISWWRDPBQYMRC-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H27F3N4O4S/c1-44(42,43)24-5-7-29-26(15-24)20(16-38-29)13-30(40)39-17-21(9-18-10-22(33)14-23(34)11-18)31-25(3-2-8-37-31)19-4-6-28(35)27(12-19)32(36)41/h2-8,10-12,14-16,21,38H,9,13,17H2,1H3,(H2,36,41)(H,39,40)/t21-/m1/s1.
What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide?
5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 620.65 g/mol, XLogP of 4.83, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-3-[[2-(5-methylsulfonyl-1H-indol-3-yl)acetyl]amino]propan-2-yl]-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 163773894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).