N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide

C25H33N3O4S — CID 46636162

IUPACN-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C25H33N3O4S/c1-5-18(4)23(26-24(29)19-11-9-8-10-12-19)25(30)28-16-15-20-17-21(13-14-22(20)28)33(31,32)27(6-2)7-3/h8-14,17-18,23H,5-7,15-16H2,1-4H3,(H,26,29)/t18-,23-/m0/s1
InChIKeyOUIXDOUJNJJLPX-MBSDFSHPSA-N
MW471.62 g/mol
LogP3.45
Rot. Bonds9

About N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide

N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 46636162) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID46636162
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C25H33N3O4S/c1-5-18(4)23(26-24(29)19-11-9-8-10-12-19)25(30)28-16-15-20-17-21(13-14-22(20)28)33(31,32)27(6-2)7-3/h8-14,17-18,23H,5-7,15-16H2,1-4H3,(H,26,29)/t18-,23-/m0/s1
InChIKeyOUIXDOUJNJJLPX-MBSDFSHPSA-N
XLogP3.45
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
1-[(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765345
N,N-diethyl-1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55871446
2-[1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 55438439
5-(diethylsulfamoyl)-N-ethyl-N-(3-phenylpropyl)-2,3-dihydroindole-1-carboxamide
CID 118398529
N,N-diethyl-1-(2-propan-2-ylsulfonylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 55667997
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide
CID 60579922
N-[1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55339430
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide (CID 46636162) is N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21.
What is the InChIKey of N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is OUIXDOUJNJJLPX-MBSDFSHPSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-5-18(4)23(26-24(29)19-11-9-8-10-12-19)25(30)28-16-15-20-17-21(13-14-22(20)28)33(31,32)27(6-2)7-3/h8-14,17-18,23H,5-7,15-16H2,1-4H3,(H,26,29)/t18-,23-/m0/s1.
What are the key properties of N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 471.62 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 46636162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).