N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide

C20H24N2O4S — CID 110371567

IUPACN-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccc2c(c1)c(CNS(=O)(=O)c1ccc(OC(C)C)cc1)cn2C
InChIInChI=1S/C20H24N2O4S/c1-14(2)26-16-5-8-18(9-6-16)27(23,24)21-12-15-13-22(3)20-10-7-17(25-4)11-19(15)20/h5-11,13-14,21H,12H2,1-4H3
InChIKeyKIPHHCWZWOGEPK-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.45
Rot. Bonds7

About N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide

N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110371567) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID110371567
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCOc1ccc2c(c1)c(CNS(=O)(=O)c1ccc(OC(C)C)cc1)cn2C
InChIInChI=1S/C20H24N2O4S/c1-14(2)26-16-5-8-18(9-6-16)27(23,24)21-12-15-13-22(3)20-10-7-17(25-4)11-19(15)20/h5-11,13-14,21H,12H2,1-4H3
InChIKeyKIPHHCWZWOGEPK-UHFFFAOYSA-N
XLogP3.45
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide 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-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110371546
N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110371530
N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110371573
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46778268
4-methoxy-2,6-dimethyl-N-[(1-methylindol-3-yl)methyl]benzenesulfonamide
CID 110371617
6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
CID 12807853
3-(1-methyl-5-propan-2-yloxyindol-3-yl)propan-1-amine
CID 96675442
4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720169
N-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (CID 110371567) is N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is COc1ccc2c(c1)c(CNS(=O)(=O)c1ccc(OC(C)C)cc1)cn2C.
What is the InChIKey of N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is KIPHHCWZWOGEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14(2)26-16-5-8-18(9-6-16)27(23,24)21-12-15-13-22(3)20-10-7-17(25-4)11-19(15)20/h5-11,13-14,21H,12H2,1-4H3.
What are the key properties of N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110371567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).