(2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide

C26H30N2O4S — CID 30143975

IUPAC(2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)cc1C
InChIInChI=1S/C26H30N2O4S/c1-4-32-25-16-15-23(17-20(25)2)33(30,31)27-24(18-21-11-7-5-8-12-21)26(29)28(3)19-22-13-9-6-10-14-22/h5-17,24,27H,4,18-19H2,1-3H3/t24-/m1/s1
InChIKeyTVVZCDPGVVYLAB-XMMPIXPASA-N
MW466.60 g/mol
LogP3.94
Rot. Bonds10

About (2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide

(2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide (PubChem CID 30143975) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
PubChem CID30143975
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name(2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)cc1C
InChIInChI=1S/C26H30N2O4S/c1-4-32-25-16-15-23(17-20(25)2)33(30,31)27-24(18-21-11-7-5-8-12-21)26(29)28(3)19-22-13-9-6-10-14-22/h5-17,24,27H,4,18-19H2,1-3H3/t24-/m1/s1
InChIKeyTVVZCDPGVVYLAB-XMMPIXPASA-N
XLogP3.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 30165111
(2S)-N-(3,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165304
(2S)-N,N-dibenzyl-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94862990
N-benzhydryl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43890919
N,N-dibenzyl-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43889202
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 30143939
(2S)-N-cyclopentyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165138
(2R)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 30144142
4-ethoxy-N-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-methylbenzenesulfonamide
CID 30144107
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenyl-N-prop-2-enylpropanamide
CID 43890809
(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)-3-phenylpropanamide
CID 30165341
ethyl 4-[2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperazine-1-carboxylate
CID 43889105

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide (CID 30143975) is (2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide is CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)cc1C.
What is the InChIKey of (2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide?
The InChIKey is TVVZCDPGVVYLAB-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-4-32-25-16-15-23(17-20(25)2)33(30,31)27-24(18-21-11-7-5-8-12-21)26(29)28(3)19-22-13-9-6-10-14-22/h5-17,24,27H,4,18-19H2,1-3H3/t24-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide?
(2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide has a molecular weight of 466.60 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 30143975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).