(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide

C25H27ClN2O6S — CID 30166323

IUPAC(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(OC)ccc2OC)cc1Cl
InChIInChI=1S/C25H27ClN2O6S/c1-4-34-23-13-11-19(16-20(23)26)35(30,31)28-22(14-17-8-6-5-7-9-17)25(29)27-21-15-18(32-2)10-12-24(21)33-3/h5-13,15-16,22,28H,4,14H2,1-3H3,(H,27,29)/t22-/m0/s1
InChIKeyXPQRAJANEHWLSP-QFIPXVFZSA-N
MW519.02 g/mol
LogP4.28
Rot. Bonds11

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

(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide (PubChem CID 30166323) has the molecular formula C25H27ClN2O6S and a molecular weight of 519.02 g/mol. Its IUPAC name is (2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
PubChem CID30166323
Molecular FormulaC25H27ClN2O6S
Molecular Weight519.02 g/mol
Exact Mass518.13
IUPAC Name(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(OC)ccc2OC)cc1Cl
InChIInChI=1S/C25H27ClN2O6S/c1-4-34-23-13-11-19(16-20(23)26)35(30,31)28-22(14-17-8-6-5-7-9-17)25(29)27-21-15-18(32-2)10-12-24(21)33-3/h5-13,15-16,22,28H,4,14H2,1-3H3,(H,27,29)/t22-/m0/s1
InChIKeyXPQRAJANEHWLSP-QFIPXVFZSA-N
XLogP4.28
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.02
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 30166321
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 30166297
(2S)-N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165489
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide
CID 30166351
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 94863245
(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860936
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-naphthalen-1-yl-3-phenylpropanamide
CID 30166236
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,5-dichlorophenyl)-3-phenylpropanamide
CID 94863229
N-(2,5-dimethoxyphenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 43871248
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 94863226
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 30166393
dimethyl 5-[[(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 94863021

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide (CID 30166323) is (2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide is CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(OC)ccc2OC)cc1Cl.
What is the InChIKey of (2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide?
The InChIKey is XPQRAJANEHWLSP-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27ClN2O6S/c1-4-34-23-13-11-19(16-20(23)26)35(30,31)28-22(14-17-8-6-5-7-9-17)25(29)27-21-15-18(32-2)10-12-24(21)33-3/h5-13,15-16,22,28H,4,14H2,1-3H3,(H,27,29)/t22-/m0/s1.
What are the key properties of (2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide?
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide has a molecular weight of 519.02 g/mol, XLogP of 4.28, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 30166323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).