N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C19H26N4O3S — CID 110351776

IUPACN-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H26N4O3S/c1-12(2)11-16(22-27(25,26)18-13(3)20-21-14(18)4)19(24)23-10-9-15-7-5-6-8-17(15)23/h5-8,12,16,22H,9-11H2,1-4H3,(H,20,21)/t16-/m0/s1
InChIKeyPNKVOKUISFFKON-INIZCTEOSA-N
MW390.51 g/mol
LogP2.31
Rot. Bonds6

About N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110351776) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110351776
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H26N4O3S/c1-12(2)11-16(22-27(25,26)18-13(3)20-21-14(18)4)19(24)23-10-9-15-7-5-6-8-17(15)23/h5-8,12,16,22H,9-11H2,1-4H3,(H,20,21)/t16-/m0/s1
InChIKeyPNKVOKUISFFKON-INIZCTEOSA-N
XLogP2.31
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]propane-1-sulfonamide
CID 110351767
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110351772
3,5-dimethyl-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-1H-pyrazole-4-sulfonamide
CID 110285637
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethyl-N-(4-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 5307196
methyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351760
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole
CID 866895
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride
CID 53314219
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]methanesulfonamide
CID 110348973
(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one
CID 135054054
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-2-thiophen-2-ylacetamide
CID 110351747
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110403254
3,4-dihydro-2H-quinolin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 43582708

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 110351776) is N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is PNKVOKUISFFKON-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-12(2)11-16(22-27(25,26)18-13(3)20-21-14(18)4)19(24)23-10-9-15-7-5-6-8-17(15)23/h5-8,12,16,22H,9-11H2,1-4H3,(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110351776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).