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

C24H26N2O5S — CID 46764267

IUPAC4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-16-14-19(10-12-21(16)26-32(28,29)20-8-6-5-7-9-20)24(27)25-17(2)18-11-13-22(30-3)23(15-18)31-4/h5-15,17,26H,1-4H3,(H,25,27)
InChIKeyKTTPIQUNJXYVKV-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.30
Rot. Bonds8

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

4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide (PubChem CID 46764267) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
PubChem CID46764267
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-16-14-19(10-12-21(16)26-32(28,29)20-8-6-5-7-9-20)24(27)25-17(2)18-11-13-22(30-3)23(15-18)31-4/h5-15,17,26H,1-4H3,(H,25,27)
InChIKeyKTTPIQUNJXYVKV-UHFFFAOYSA-N
XLogP4.30
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 94020081
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30379464
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875279
4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide
CID 133188885
4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide
CID 28571796
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670931
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 30398276
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132671525
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 2687763
4-(benzenesulfonamido)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-methylbenzamide
CID 92684420

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide (CID 46764267) is 4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide is COc1ccc(C(C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1OC.
What is the InChIKey of 4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide?
The InChIKey is KTTPIQUNJXYVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-16-14-19(10-12-21(16)26-32(28,29)20-8-6-5-7-9-20)24(27)25-17(2)18-11-13-22(30-3)23(15-18)31-4/h5-15,17,26H,1-4H3,(H,25,27).
What are the key properties of 4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide?
4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide has a molecular weight of 454.55 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 46764267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).