1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one

C21H24N2O3S — CID 110288865

IUPAC1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one
SMILESCC(C)c1ccc2c(c1)CN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C)CC2
InChIInChI=1S/C21H24N2O3S/c1-14(2)16-5-4-15-8-9-23(13-18(15)10-16)27(25,26)19-6-7-20-17(11-19)12-21(24)22(20)3/h4-7,10-11,14H,8-9,12-13H2,1-3H3
InChIKeyMIFWRNWVLVCIJR-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.08
Rot. Bonds3

About 1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one

1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one (PubChem CID 110288865) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one
PubChem CID110288865
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one
SMILESCC(C)c1ccc2c(c1)CN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C)CC2
InChIInChI=1S/C21H24N2O3S/c1-14(2)16-5-4-15-8-9-23(13-18(15)10-16)27(25,26)19-6-7-20-17(11-19)12-21(24)22(20)3/h4-7,10-11,14H,8-9,12-13H2,1-3H3
InChIKeyMIFWRNWVLVCIJR-UHFFFAOYSA-N
XLogP3.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one 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 1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one (CID 110288865) is 1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one is CC(C)c1ccc2c(c1)CN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3C)CC2.
What is the InChIKey of 1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one?
The InChIKey is MIFWRNWVLVCIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14(2)16-5-4-15-8-9-23(13-18(15)10-16)27(25,26)19-6-7-20-17(11-19)12-21(24)22(20)3/h4-7,10-11,14H,8-9,12-13H2,1-3H3.
What are the key properties of 1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one?
1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one has a molecular weight of 384.50 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(7-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-3H-indol-2-one is sourced from PubChem (CID 110288865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).