2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide

C21H24N2O3S — CID 113085851

IUPAC2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC1(c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C21H24N2O3S/c1-14-8-9-18(26-3)19(12-14)27(24,25)22-13-21(10-11-21)20-15(2)23-17-7-5-4-6-16(17)20/h4-9,12,22-23H,10-11,13H2,1-3H3
InChIKeyCOOMBYLERDAINN-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.80
Rot. Bonds6

About 2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide

2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide (PubChem CID 113085851) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
PubChem CID113085851
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC1(c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C21H24N2O3S/c1-14-8-9-18(26-3)19(12-14)27(24,25)22-13-21(10-11-21)20-15(2)23-17-7-5-4-6-16(17)20/h4-9,12,22-23H,10-11,13H2,1-3H3
InChIKeyCOOMBYLERDAINN-UHFFFAOYSA-N
XLogP3.80
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 113085870
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113085398
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110292799
2-(4-methoxyphenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085795
N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085807
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27450983
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110601340
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 42269408
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 110734272
N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide (CID 113085851) is 2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCC1(c2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of 2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide?
The InChIKey is COOMBYLERDAINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-8-9-18(26-3)19(12-14)27(24,25)22-13-21(10-11-21)20-15(2)23-17-7-5-4-6-16(17)20/h4-9,12,22-23H,10-11,13H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide is sourced from PubChem (CID 113085851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).