4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide

C24H26N2O4S — CID 28571796

IUPAC4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-30-21-13-10-19(11-14-21)18(3)25-24(27)20-12-15-23(17(2)16-20)26-31(28,29)22-8-6-5-7-9-22/h5-16,18,26H,4H2,1-3H3,(H,25,27)/t18-/m1/s1
InChIKeyXKZMOYAQGVCCLM-GOSISDBHSA-N
MW438.55 g/mol
LogP4.69
Rot. Bonds8

About 4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide

4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide (PubChem CID 28571796) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide
PubChem CID28571796
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-30-21-13-10-19(11-14-21)18(3)25-24(27)20-12-15-23(17(2)16-20)26-31(28,29)22-8-6-5-7-9-22/h5-16,18,26H,4H2,1-3H3,(H,25,27)/t18-/m1/s1
InChIKeyXKZMOYAQGVCCLM-GOSISDBHSA-N
XLogP4.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 43907189
4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
CID 46764267
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875867
4-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132671525
4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide
CID 133188885
4-(benzenesulfonamido)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-methylbenzamide
CID 92684420
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
3-(benzenesulfonamido)-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 99955648
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 24575226
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 92674095
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670931

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide (CID 28571796) is 4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide is CCOc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide?
The InChIKey is XKZMOYAQGVCCLM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-30-21-13-10-19(11-14-21)18(3)25-24(27)20-12-15-23(17(2)16-20)26-31(28,29)22-8-6-5-7-9-22/h5-16,18,26H,4H2,1-3H3,(H,25,27)/t18-/m1/s1.
What are the key properties of 4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide?
4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide has a molecular weight of 438.55 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 28571796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).