3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C22H31N3O4S — CID 92687792

IUPAC3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCCC3=CCCCC3)cc2C[C@@H]1C
InChIInChI=1S/C22H31N3O4S/c1-16-14-19-15-20(8-9-21(19)25(16)17(2)26)30(28,29)24-13-11-22(27)23-12-10-18-6-4-3-5-7-18/h6,8-9,15-16,24H,3-5,7,10-14H2,1-2H3,(H,23,27)/t16-/m0/s1
InChIKeyWJTHUAAOSZCJGJ-INIZCTEOSA-N
MW433.57 g/mol
LogP2.66
Rot. Bonds8

About 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide

3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 92687792) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID92687792
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCCC3=CCCCC3)cc2C[C@@H]1C
InChIInChI=1S/C22H31N3O4S/c1-16-14-19-15-20(8-9-21(19)25(16)17(2)26)30(28,29)24-13-11-22(27)23-12-10-18-6-4-3-5-7-18/h6,8-9,15-16,24H,3-5,7,10-14H2,1-2H3,(H,23,27)/t16-/m0/s1
InChIKeyWJTHUAAOSZCJGJ-INIZCTEOSA-N
XLogP2.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide 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

3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-phenylethyl)propanamide
CID 92687862
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 92687837
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 92504991
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 29261799
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92687907
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclohexyl-N-methylpropanamide
CID 24793666
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 92687784
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 24791899
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 92687783
(2R)-1-acetyl-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2,3-dihydroindole-5-sulfonamide
CID 92504914
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 92687792) is 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide is CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)NCCC3=CCCCC3)cc2C[C@@H]1C.
What is the InChIKey of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is WJTHUAAOSZCJGJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-16-14-19-15-20(8-9-21(19)25(16)17(2)26)30(28,29)24-13-11-22(27)23-12-10-18-6-4-3-5-7-18/h6,8-9,15-16,24H,3-5,7,10-14H2,1-2H3,(H,23,27)/t16-/m0/s1.
What are the key properties of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 433.57 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 92687792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).