3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide

C26H32N2O4S — CID 60553577

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C26H32N2O4S/c1-18-14-19(2)17-28(16-18)26(30)23-8-3-4-9-24(23)27-25(29)12-13-33(31,32)22-11-10-20-6-5-7-21(20)15-22/h3-4,8-11,15,18-19H,5-7,12-14,16-17H2,1-2H3,(H,27,29)
InChIKeyRWPYHZBQPZGTET-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.10
Rot. Bonds6

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide (PubChem CID 60553577) has the molecular formula C26H32N2O4S and a molecular weight of 468.62 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide
PubChem CID60553577
Molecular FormulaC26H32N2O4S
Molecular Weight468.62 g/mol
Exact Mass468.21
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C26H32N2O4S/c1-18-14-19(2)17-28(16-18)26(30)23-8-3-4-9-24(23)27-25(29)12-13-33(31,32)22-11-10-20-6-5-7-21(20)15-22/h3-4,8-11,15,18-19H,5-7,12-14,16-17H2,1-2H3,(H,27,29)
InChIKeyRWPYHZBQPZGTET-UHFFFAOYSA-N
XLogP4.10
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]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

4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide
CID 60621736
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119717948
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55798765
N-[3-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55677137
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(2-phenylethoxy)phenyl]propanamide
CID 52723374
3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 6461370
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2-nitroanilino)propanamide
CID 46442916
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[(4R)-4-methylazepan-1-yl]propan-1-one
CID 95248236
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124589701
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
4-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 102554567

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide (CID 60553577) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide is CC1CC(C)CN(C(=O)c2ccccc2NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is RWPYHZBQPZGTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S/c1-18-14-19(2)17-28(16-18)26(30)23-8-3-4-9-24(23)27-25(29)12-13-33(31,32)22-11-10-20-6-5-7-21(20)15-22/h3-4,8-11,15,18-19H,5-7,12-14,16-17H2,1-2H3,(H,27,29).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 468.62 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 60553577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).