N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide

C20H24N2O4S — CID 6596823

IUPACN-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1
InChIInChI=1S/C20H24N2O4S/c1-3-17(13-23)21-20(24)16-8-6-9-18(12-16)27(25,26)22-14(2)11-15-7-4-5-10-19(15)22/h4-10,12,14,17,23H,3,11,13H2,1-2H3,(H,21,24)/t14-,17-/m0/s1
InChIKeyDERHHDPMZBTLBY-YOEHRIQHSA-N
MW388.49 g/mol
LogP2.33
Rot. Bonds6

About N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide

N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide (PubChem CID 6596823) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
PubChem CID6596823
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1
InChIInChI=1S/C20H24N2O4S/c1-3-17(13-23)21-20(24)16-8-6-9-18(12-16)27(25,26)22-14(2)11-15-7-4-5-10-19(15)22/h4-10,12,14,17,23H,3,11,13H2,1-2H3,(H,21,24)/t14-,17-/m0/s1
InChIKeyDERHHDPMZBTLBY-YOEHRIQHSA-N
XLogP2.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxybutan-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 2997709
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-propylbenzamide
CID 109062095
N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 41041573
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 41074519
N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 55363980
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(pyridin-4-ylmethyl)benzamide
CID 4175707
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 112845926
N'-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55455151
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 46512935
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 4524824
3-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 25383378
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 42965395

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide (CID 6596823) is N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide is CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The InChIKey is DERHHDPMZBTLBY-YOEHRIQHSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-17(13-23)21-20(24)16-8-6-9-18(12-16)27(25,26)22-14(2)11-15-7-4-5-10-19(15)22/h4-10,12,14,17,23H,3,11,13H2,1-2H3,(H,21,24)/t14-,17-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide is sourced from PubChem (CID 6596823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).