(2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C20H28N4O3S — CID 51594645

IUPAC(2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCCn1nc(C)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1C
InChIInChI=1S/C20H28N4O3S/c1-7-23-15(5)20(13(3)21-23)14(4)22-28(26,27)18-8-9-19-17(11-18)10-12(2)24(19)16(6)25/h8-9,11-12,14,22H,7,10H2,1-6H3/t12-,14+/m0/s1
InChIKeyRDLGXRUJPMZBLH-GXTWGEPZSA-N
MW404.54 g/mol
LogP2.86
Rot. Bonds5

About (2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

(2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 51594645) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID51594645
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC Name(2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCCn1nc(C)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1C
InChIInChI=1S/C20H28N4O3S/c1-7-23-15(5)20(13(3)21-23)14(4)22-28(26,27)18-8-9-19-17(11-18)10-12(2)24(19)16(6)25/h8-9,11-12,14,22H,7,10H2,1-6H3/t12-,14+/m0/s1
InChIKeyRDLGXRUJPMZBLH-GXTWGEPZSA-N
XLogP2.86
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46970597
(2S)-1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 92875764
1-acetyl-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46353471
(2R)-1-acetyl-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 92875766
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119983377
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593354
1-acetyl-2-methyl-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 46972299
(2R)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593356
1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119993278
1-acetyl-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 74658277
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 51594645) is (2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is CCn1nc(C)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1C.
What is the InChIKey of (2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RDLGXRUJPMZBLH-GXTWGEPZSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-7-23-15(5)20(13(3)21-23)14(4)22-28(26,27)18-8-9-19-17(11-18)10-12(2)24(19)16(6)25/h8-9,11-12,14,22H,7,10H2,1-6H3/t12-,14+/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
(2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 404.54 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 51594645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).