(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide

C20H27N3O6S2 — CID 28561746

IUPAC(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O6S2/c1-5-29-17-8-12-18(13-9-17)30(25,26)22-15(2)20(24)21-14-16-6-10-19(11-7-16)31(27,28)23(3)4/h6-13,15,22H,5,14H2,1-4H3,(H,21,24)/t15-/m1/s1
InChIKeyDEVAZTFNIKIZAP-OAHLLOKOSA-N
MW469.59 g/mol
LogP1.32
Rot. Bonds10

About (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide

(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 28561746) has the molecular formula C20H27N3O6S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID28561746
Molecular FormulaC20H27N3O6S2
Molecular Weight469.59 g/mol
Exact Mass469.13
IUPAC Name(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H27N3O6S2/c1-5-29-17-8-12-18(13-9-17)30(25,26)22-15(2)20(24)21-14-16-6-10-19(11-7-16)31(27,28)23(3)4/h6-13,15,22H,5,14H2,1-4H3,(H,21,24)/t15-/m1/s1
InChIKeyDEVAZTFNIKIZAP-OAHLLOKOSA-N
XLogP1.32
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43872765
N-[1-[[4-(dimethylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55846667
(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 28561695
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 24625428
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]propanamide
CID 55939954
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9208122
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
2-[(4-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 21156633
(2R)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167399
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55893493
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 28561746) is (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is DEVAZTFNIKIZAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N3O6S2/c1-5-29-17-8-12-18(13-9-17)30(25,26)22-15(2)20(24)21-14-16-6-10-19(11-7-16)31(27,28)23(3)4/h6-13,15,22H,5,14H2,1-4H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 469.59 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 28561746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).