(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide

C24H24N2O6S — CID 28540140

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C24H24N2O6S/c1-16-8-10-21(30-2)23(12-16)33(28,29)26-19(13-17-6-4-3-5-7-17)24(27)25-18-9-11-20-22(14-18)32-15-31-20/h3-12,14,19,26H,13,15H2,1-2H3,(H,25,27)/t19-/m1/s1
InChIKeyFXPPCVHQVYNCBE-LJQANCHMSA-N
MW468.53 g/mol
LogP3.26
Rot. Bonds8

About (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide

(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 28540140) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID28540140
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C24H24N2O6S/c1-16-8-10-21(30-2)23(12-16)33(28,29)26-19(13-17-6-4-3-5-7-17)24(27)25-18-9-11-20-22(14-18)32-15-31-20/h3-12,14,19,26H,13,15H2,1-2H3,(H,25,27)/t19-/m1/s1
InChIKeyFXPPCVHQVYNCBE-LJQANCHMSA-N
XLogP3.26
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871398
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538526
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 28539840
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 28540088
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 43871101
(2R)-N-(2,6-diethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540304
(2R)-N-(2,5-dimethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539862
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 28539637
(2S)-N-cyclopentyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539687
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28539747
(2S)-N-cyclooctyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540372
N-cyclooctyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871149

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide (CID 28540140) is (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is FXPPCVHQVYNCBE-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-16-8-10-21(30-2)23(12-16)33(28,29)26-19(13-17-6-4-3-5-7-17)24(27)25-18-9-11-20-22(14-18)32-15-31-20/h3-12,14,19,26H,13,15H2,1-2H3,(H,25,27)/t19-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 468.53 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 28540140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).