(2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide

C21H26ClN3O3S — CID 25337361

IUPAC(2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N2CCc3ccccc32)c1
InChIInChI=1S/C21H26ClN3O3S/c1-4-24(5-2)29(27,28)17-10-11-18(22)19(14-17)23-21(26)15(3)25-13-12-16-8-6-7-9-20(16)25/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,26)/t15-/m0/s1
InChIKeyQCVSTTMXFGJIDX-HNNXBMFYSA-N
MW435.98 g/mol
LogP3.76
Rot. Bonds7

About (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide

(2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide (PubChem CID 25337361) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
PubChem CID25337361
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name(2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N2CCc3ccccc32)c1
InChIInChI=1S/C21H26ClN3O3S/c1-4-24(5-2)29(27,28)17-10-11-18(22)19(14-17)23-21(26)15(3)25-13-12-16-8-6-7-9-20(16)25/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,26)/t15-/m0/s1
InChIKeyQCVSTTMXFGJIDX-HNNXBMFYSA-N
XLogP3.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
CID 8583559
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide
CID 112840558
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 56518150
(2R)-N-(2,3-dichlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 7940820
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42996447
(2S)-2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2091402
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea
CID 55701839
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)propanamide
CID 8704291
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 4875488
(2R)-N-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 8704432
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 8704322
(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9432096

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide?
The IUPAC name of (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide (CID 25337361) is (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N2CCc3ccccc32)c1.
What is the InChIKey of (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide?
The InChIKey is QCVSTTMXFGJIDX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-4-24(5-2)29(27,28)17-10-11-18(22)19(14-17)23-21(26)15(3)25-13-12-16-8-6-7-9-20(16)25/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,23,26)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide?
(2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide has a molecular weight of 435.98 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide is sourced from PubChem (CID 25337361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).