(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

C24H24Cl2N2O6S — CID 94860936

IUPAC(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl
InChIInChI=1S/C24H24Cl2N2O6S/c1-32-21-10-9-16(12-17(21)25)35(30,31)28-20(11-15-7-5-4-6-8-15)24(29)27-19-14-22(33-2)18(26)13-23(19)34-3/h4-10,12-14,20,28H,11H2,1-3H3,(H,27,29)/t20-/m1/s1
InChIKeyVTTHCYHHEWJORN-HXUWFJFHSA-N
MW539.44 g/mol
LogP4.55
Rot. Bonds10

About (2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 94860936) has the molecular formula C24H24Cl2N2O6S and a molecular weight of 539.44 g/mol. Its IUPAC name is (2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID94860936
Molecular FormulaC24H24Cl2N2O6S
Molecular Weight539.44 g/mol
Exact Mass538.07
IUPAC Name(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl
InChIInChI=1S/C24H24Cl2N2O6S/c1-32-21-10-9-16(12-17(21)25)35(30,31)28-20(11-15-7-5-4-6-8-15)24(29)27-19-14-22(33-2)18(26)13-23(19)34-3/h4-10,12-14,20,28H,11H2,1-3H3,(H,27,29)/t20-/m1/s1
InChIKeyVTTHCYHHEWJORN-HXUWFJFHSA-N
XLogP4.55
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide with MolForge

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870849
methyl 2-[[(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate
CID 28539327
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-3-phenylpropanamide
CID 28539179
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 43870985
(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94861070
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,5-difluorophenyl)-3-phenylpropanamide
CID 43871018
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 28539595
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide
CID 28539074
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)-3-phenylpropanamide
CID 28539138
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 30166297

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 94860936) is (2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl.
What is the InChIKey of (2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is VTTHCYHHEWJORN-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24Cl2N2O6S/c1-32-21-10-9-16(12-17(21)25)35(30,31)28-20(11-15-7-5-4-6-8-15)24(29)27-19-14-22(33-2)18(26)13-23(19)34-3/h4-10,12-14,20,28H,11H2,1-3H3,(H,27,29)/t20-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 539.44 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 94860936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).