(2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide

C24H25ClN2O5S — CID 51961571

IUPAC(2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide
SMILESCOCCOc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O5S/c1-31-15-16-32-21-11-13-22(14-12-21)33(29,30)27-23(19-5-3-2-4-6-19)24(28)26-17-18-7-9-20(25)10-8-18/h2-14,23,27H,15-17H2,1H3,(H,26,28)/t23-/m0/s1
InChIKeyPWJPZKSEEPJEJI-QHCPKHFHSA-N
MW488.99 g/mol
LogP3.70
Rot. Bonds11

About (2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide

(2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide (PubChem CID 51961571) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is (2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide
PubChem CID51961571
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name(2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide
SMILESCOCCOc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H25ClN2O5S/c1-31-15-16-32-21-11-13-22(14-12-21)33(29,30)27-23(19-5-3-2-4-6-19)24(28)26-17-18-7-9-20(25)10-8-18/h2-14,23,27H,15-17H2,1H3,(H,26,28)/t23-/m0/s1
InChIKeyPWJPZKSEEPJEJI-QHCPKHFHSA-N
XLogP3.70
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-2-phenylacetamide
CID 51961574
(2R)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167399
N-benzhydryl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35295897
ethyl 2-[(4-butoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3688454
4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 70638313
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 41374144
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 28561823
N-[(4-methoxyphenyl)methyl]-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1304675
N-benzyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1317169
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
(2S)-N-(benzenesulfonyl)-2-[(4-chlorophenyl)methylamino]-2-phenylacetamide
CID 92842730

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide?
The IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide (CID 51961571) is (2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide is COCCOc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide?
The InChIKey is PWJPZKSEEPJEJI-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-31-15-16-32-21-11-13-22(14-12-21)33(29,30)27-23(19-5-3-2-4-6-19)24(28)26-17-18-7-9-20(25)10-8-18/h2-14,23,27H,15-17H2,1H3,(H,26,28)/t23-/m0/s1.
What are the key properties of (2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide?
(2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide has a molecular weight of 488.99 g/mol, XLogP of 3.70, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-chlorophenyl)methyl]-2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]-2-phenylacetamide is sourced from PubChem (CID 51961571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).