3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide

C23H24N2O5S — CID 132611720

IUPAC3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1OC
InChIInChI=1S/C23H24N2O5S/c1-16(17-12-13-21(29-2)22(15-17)30-3)24-23(26)18-8-7-9-19(14-18)25-31(27,28)20-10-5-4-6-11-20/h4-16,25H,1-3H3,(H,24,26)
InChIKeyLUVJTWTUWRBZQP-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.00
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide

3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 132611720) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID132611720
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1OC
InChIInChI=1S/C23H24N2O5S/c1-16(17-12-13-21(29-2)22(15-17)30-3)24-23(26)18-8-7-9-19(14-18)25-31(27,28)20-10-5-4-6-11-20/h4-16,25H,1-3H3,(H,24,26)
InChIKeyLUVJTWTUWRBZQP-UHFFFAOYSA-N
XLogP4.00
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
CID 46764267
4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 94020081
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
N-[1-(3,4-dimethylphenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132671557
N-[1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 132663597
3-(benzenesulfonamido)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186488
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 94013133
4-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 94013134
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875279
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
2-[[3-(benzenesulfonamido)benzoyl]amino]-3-methylpentanoic acid
CID 119211489
3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657574

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 132611720) is 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(C(C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1OC.
What is the InChIKey of 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is LUVJTWTUWRBZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-16(17-12-13-21(29-2)22(15-17)30-3)24-23(26)18-8-7-9-19(14-18)25-31(27,28)20-10-5-4-6-11-20/h4-16,25H,1-3H3,(H,24,26).
What are the key properties of 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide?
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 440.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 132611720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).