3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide

C22H24N4O3S — CID 55686659

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C22H24N4O3S/c1-16(17-5-8-20(9-6-17)26-15-23-14-24-26)25-22(27)11-12-30(28,29)21-10-7-18-3-2-4-19(18)13-21/h5-10,13-16H,2-4,11-12H2,1H3,(H,25,27)
InChIKeyYBHUTDQUUVXDFW-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.80
Rot. Bonds7

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (PubChem CID 55686659) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
PubChem CID55686659
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C22H24N4O3S/c1-16(17-5-8-20(9-6-17)26-15-23-14-24-26)25-22(27)11-12-30(28,29)21-10-7-18-3-2-4-19(18)13-21/h5-10,13-16H,2-4,11-12H2,1H3,(H,25,27)
InChIKeyYBHUTDQUUVXDFW-UHFFFAOYSA-N
XLogP2.80
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]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

N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 120507153
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 86951195
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
2-cyclopentyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41088887
3-(4-morpholin-4-ylsulfonylphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 45352266
3-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 17398792
3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 25397843
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 27864416
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 27864417
3-(3,5-dimethoxyphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 51232193
3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 40795400
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
CID 120826990

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (CID 55686659) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide is CC(NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The InChIKey is YBHUTDQUUVXDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-16(17-5-8-20(9-6-17)26-15-23-14-24-26)25-22(27)11-12-30(28,29)21-10-7-18-3-2-4-19(18)13-21/h5-10,13-16H,2-4,11-12H2,1H3,(H,25,27).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide has a molecular weight of 424.53 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 55686659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).