(2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide

C22H25FN4O4S — CID 92882235

IUPAC(2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H25FN4O4S/c1-15(21(28)24-19-7-3-2-6-18(19)23)25-32(30,31)17-8-9-20-16(14-17)10-13-27(20)22(29)26-11-4-5-12-26/h2-3,6-9,14-15,25H,4-5,10-13H2,1H3,(H,24,28)/t15-/m0/s1
InChIKeySQKDYCOGGFFLMI-HNNXBMFYSA-N
MW460.53 g/mol
LogP2.71
Rot. Bonds5

About (2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide

(2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide (PubChem CID 92882235) has the molecular formula C22H25FN4O4S and a molecular weight of 460.53 g/mol. Its IUPAC name is (2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
PubChem CID92882235
Molecular FormulaC22H25FN4O4S
Molecular Weight460.53 g/mol
Exact Mass460.16
IUPAC Name(2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C22H25FN4O4S/c1-15(21(28)24-19-7-3-2-6-18(19)23)25-32(30,31)17-8-9-20-16(14-17)10-13-27(20)22(29)26-11-4-5-12-26/h2-3,6-9,14-15,25H,4-5,10-13H2,1H3,(H,24,28)/t15-/m0/s1
InChIKeySQKDYCOGGFFLMI-HNNXBMFYSA-N
XLogP2.71
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92882222
(2S)-N-(5-chloro-2-methylphenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92882227
N-propan-2-yl-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46384886
2-[(3,4-dichlorophenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110601229
2-[(4-acetylphenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110408013
1-acetyl-N-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 122175082
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 20856180
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 92661556
(2S)-N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7924414
N-(2-fluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890221
1-acetyl-N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 92661637
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide (CID 92882235) is (2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)Nc1ccccc1F.
What is the InChIKey of (2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The InChIKey is SQKDYCOGGFFLMI-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25FN4O4S/c1-15(21(28)24-19-7-3-2-6-18(19)23)25-32(30,31)17-8-9-20-16(14-17)10-13-27(20)22(29)26-11-4-5-12-26/h2-3,6-9,14-15,25H,4-5,10-13H2,1H3,(H,24,28)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
(2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide has a molecular weight of 460.53 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluorophenyl)-2-[[1-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide is sourced from PubChem (CID 92882235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).