N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide

C20H25NO3S — CID 70223056

IUPACN-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
SMILESCOc1cccc(Cc2ccc3c(c2)CCC3NS(=O)(=O)C(C)C)c1
InChIInChI=1S/C20H25NO3S/c1-14(2)25(22,23)21-20-10-8-17-12-16(7-9-19(17)20)11-15-5-4-6-18(13-15)24-3/h4-7,9,12-14,20-21H,8,10-11H2,1-3H3
InChIKeyMNJOMCPMPGJIGG-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.60
Rot. Bonds6

About N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide

N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide (PubChem CID 70223056) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
PubChem CID70223056
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
SMILESCOc1cccc(Cc2ccc3c(c2)CCC3NS(=O)(=O)C(C)C)c1
InChIInChI=1S/C20H25NO3S/c1-14(2)25(22,23)21-20-10-8-17-12-16(7-9-19(17)20)11-15-5-4-6-18(13-15)24-3/h4-7,9,12-14,20-21H,8,10-11H2,1-3H3
InChIKeyMNJOMCPMPGJIGG-UHFFFAOYSA-N
XLogP3.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide (CID 70223056) is N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide is COc1cccc(Cc2ccc3c(c2)CCC3NS(=O)(=O)C(C)C)c1.
What is the InChIKey of N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
The InChIKey is MNJOMCPMPGJIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-14(2)25(22,23)21-20-10-8-17-12-16(7-9-19(17)20)11-15-5-4-6-18(13-15)24-3/h4-7,9,12-14,20-21H,8,10-11H2,1-3H3.
What are the key properties of N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide?
N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide has a molecular weight of 359.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide is sourced from PubChem (CID 70223056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).