(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide

C24H24Cl2N2O5S — CID 30166351

IUPAC(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl
InChIInChI=1S/C24H24Cl2N2O5S/c1-3-33-23-12-10-18(15-20(23)26)34(30,31)28-21(13-16-7-5-4-6-8-16)24(29)27-17-9-11-22(32-2)19(25)14-17/h4-12,14-15,21,28H,3,13H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyTWVGZXGRCMDGNS-OAQYLSRUSA-N
MW523.44 g/mol
LogP4.93
Rot. Bonds10

About (2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide

(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 30166351) has the molecular formula C24H24Cl2N2O5S and a molecular weight of 523.44 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide
PubChem CID30166351
Molecular FormulaC24H24Cl2N2O5S
Molecular Weight523.44 g/mol
Exact Mass522.08
IUPAC Name(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl
InChIInChI=1S/C24H24Cl2N2O5S/c1-3-33-23-12-10-18(15-20(23)26)34(30,31)28-21(13-16-7-5-4-6-8-16)24(29)27-17-9-11-22(32-2)19(25)14-17/h4-12,14-15,21,28H,3,13H2,1-2H3,(H,27,29)/t21-/m1/s1
InChIKeyTWVGZXGRCMDGNS-OAQYLSRUSA-N
XLogP4.93
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.44
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 94863226
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 30166297
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,5-dichlorophenyl)-3-phenylpropanamide
CID 94863229
N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871402
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 94863245
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 30166323
N-(3-bromophenyl)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891098
dimethyl 5-[[(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 94863021
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)-3-phenylpropanamide
CID 28539138
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 30166321
(2R)-N-benzhydryl-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94863263
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 94860915

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide (CID 30166351) is (2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide is CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl.
What is the InChIKey of (2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is TWVGZXGRCMDGNS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24Cl2N2O5S/c1-3-33-23-12-10-18(15-20(23)26)34(30,31)28-21(13-16-7-5-4-6-8-16)24(29)27-17-9-11-22(32-2)19(25)14-17/h4-12,14-15,21,28H,3,13H2,1-2H3,(H,27,29)/t21-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide?
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 523.44 g/mol, XLogP of 4.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 30166351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).