N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide

C18H18N2O5S — CID 75404791

IUPACN-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)Cn2ccc3ccccc32)cc1OC
InChIInChI=1S/C18H18N2O5S/c1-24-16-8-7-14(11-17(16)25-2)26(22,23)19-18(21)12-20-10-9-13-5-3-4-6-15(13)20/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyIBBFVFWDTIKWDJ-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.16
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide

N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide (PubChem CID 75404791) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide
PubChem CID75404791
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)Cn2ccc3ccccc32)cc1OC
InChIInChI=1S/C18H18N2O5S/c1-24-16-8-7-14(11-17(16)25-2)26(22,23)19-18(21)12-20-10-9-13-5-3-4-6-15(13)20/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyIBBFVFWDTIKWDJ-UHFFFAOYSA-N
XLogP2.16
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzenesulfonyl)-2-indol-1-ylacetamide
CID 87044187
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylbutanamide
CID 47115056
N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide
CID 17080278
5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide
CID 17094435
N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 17401615
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide
CID 125432031
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-(3,5-difluoro-4-methoxyphenyl)-2-indol-1-ylacetamide
CID 87042646
N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide
CID 86997837
N-(3-indol-1-ylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 18120698
2-indol-1-yl-N-[(E)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 7316808
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide (CID 75404791) is N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide is COc1ccc(S(=O)(=O)NC(=O)Cn2ccc3ccccc32)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide?
The InChIKey is IBBFVFWDTIKWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-24-16-8-7-14(11-17(16)25-2)26(22,23)19-18(21)12-20-10-9-13-5-3-4-6-15(13)20/h3-11H,12H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide?
N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide has a molecular weight of 374.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)sulfonyl-2-indol-1-ylacetamide is sourced from PubChem (CID 75404791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).