N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide

C24H26N2O5S — CID 2232975

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-17-9-11-19(16-23(17)32(28,29)26-20-7-5-4-6-8-20)24(27)25-14-13-18-10-12-21(30-2)22(15-18)31-3/h4-12,15-16,26H,13-14H2,1-3H3,(H,25,27)
InChIKeyGIUQRUVFXJTUPX-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.79
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide (PubChem CID 2232975) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
PubChem CID2232975
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1OC
InChIInChI=1S/C24H26N2O5S/c1-17-9-11-19(16-23(17)32(28,29)26-20-7-5-4-6-8-20)24(27)25-14-13-18-10-12-21(30-2)22(15-18)31-3/h4-12,15-16,26H,13-14H2,1-3H3,(H,25,27)
InChIKeyGIUQRUVFXJTUPX-UHFFFAOYSA-N
XLogP3.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
CID 3595994
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373626
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 28578090
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778064
N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 46764508
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
4-[(2-chloro-5-nitrophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 3370322
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide (CID 2232975) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide is COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide?
The InChIKey is GIUQRUVFXJTUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17-9-11-19(16-23(17)32(28,29)26-20-7-5-4-6-8-20)24(27)25-14-13-18-10-12-21(30-2)22(15-18)31-3/h4-12,15-16,26H,13-14H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide has a molecular weight of 454.55 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 2232975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).