N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

C24H26N2O5S — CID 125052451

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccccc3OC)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-17(22-7-5-6-8-23(22)31-4)25-24(27)18-9-11-19(12-10-18)26(2)32(28,29)21-15-13-20(30-3)14-16-21/h5-17H,1-4H3,(H,25,27)/t17-/m1/s1
InChIKeyGCZWJHZFUOIVIY-QGZVFWFLSA-N
MW454.55 g/mol
LogP4.02
Rot. Bonds8

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (PubChem CID 125052451) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
PubChem CID125052451
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccccc3OC)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-17(22-7-5-6-8-23(22)31-4)25-24(27)18-9-11-19(12-10-18)26(2)32(28,29)21-15-13-20(30-3)14-16-21/h5-17H,1-4H3,(H,25,27)/t17-/m1/s1
InChIKeyGCZWJHZFUOIVIY-QGZVFWFLSA-N
XLogP4.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052999
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 125043041
3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 100610475
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 133210747
N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 53280023
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186397
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
4-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 93487645
N-[(2-ethoxyphenyl)methyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 53280039
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
CID 26618887
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 92686168

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide (CID 125052451) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H](C)c3ccccc3OC)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
The InChIKey is GCZWJHZFUOIVIY-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-17(22-7-5-6-8-23(22)31-4)25-24(27)18-9-11-19(12-10-18)26(2)32(28,29)21-15-13-20(30-3)14-16-21/h5-17H,1-4H3,(H,25,27)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide has a molecular weight of 454.55 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide is sourced from PubChem (CID 125052451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).