1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide

C20H24N2O4S — CID 53105579

IUPAC1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-14(23)22-13-20(2,3)18-11-17(8-9-19(18)22)27(24,25)21-12-15-6-5-7-16(10-15)26-4/h5-11,21H,12-13H2,1-4H3
InChIKeyQINZKXIAOOTOMG-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.82
Rot. Bonds5

About 1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide

1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide (PubChem CID 53105579) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
PubChem CID53105579
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-14(23)22-13-20(2,3)18-11-17(8-9-19(18)22)27(24,25)21-12-15-6-5-7-16(10-15)26-4/h5-11,21H,12-13H2,1-4H3
InChIKeyQINZKXIAOOTOMG-UHFFFAOYSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[(3-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 22549966
1-acetyl-N-(2,6-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105534
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide
CID 53105744
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
3-amino-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028920
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105815
N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53025513
N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105628
N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105642
N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105751
N-[(3-methoxyphenyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 31481454

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide (CID 53105579) is 1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide is COc1cccc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)c1.
What is the InChIKey of 1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide?
The InChIKey is QINZKXIAOOTOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14(23)22-13-20(2,3)18-11-17(8-9-19(18)22)27(24,25)21-12-15-6-5-7-16(10-15)26-4/h5-11,21H,12-13H2,1-4H3.
What are the key properties of 1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide?
1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide is sourced from PubChem (CID 53105579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).