2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

C26H29ClN2O5S — CID 28548964

IUPAC2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2OC)Cc2ccccc2)cc1Cl
InChIInChI=1S/C26H29ClN2O5S/c1-4-34-25-15-14-21(16-23(25)27)35(31,32)29(17-20-10-6-5-7-11-20)18-26(30)28-19(2)22-12-8-9-13-24(22)33-3/h5-16,19H,4,17-18H2,1-3H3,(H,28,30)/t19-/m1/s1
InChIKeyGLIVYCGHRPIXNH-LJQANCHMSA-N
MW517.05 g/mol
LogP4.82
Rot. Bonds11

About 2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 28548964) has the molecular formula C26H29ClN2O5S and a molecular weight of 517.05 g/mol. Its IUPAC name is 2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID28548964
Molecular FormulaC26H29ClN2O5S
Molecular Weight517.05 g/mol
Exact Mass516.15
IUPAC Name2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2OC)Cc2ccccc2)cc1Cl
InChIInChI=1S/C26H29ClN2O5S/c1-4-34-25-15-14-21(16-23(25)27)35(31,32)29(17-20-10-6-5-7-11-20)18-26(30)28-19(2)22-12-8-9-13-24(22)33-3/h5-16,19H,4,17-18H2,1-3H3,(H,28,30)/t19-/m1/s1
InChIKeyGLIVYCGHRPIXNH-LJQANCHMSA-N
XLogP4.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.05
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43872602
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544211
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401445
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2984766
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401552
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28545495
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401079
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401389
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871896
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871849
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544842
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872685

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (CID 28548964) is 2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2ccccc2OC)Cc2ccccc2)cc1Cl.
What is the InChIKey of 2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is GLIVYCGHRPIXNH-LJQANCHMSA-N. The full InChI is InChI=1S/C26H29ClN2O5S/c1-4-34-25-15-14-21(16-23(25)27)35(31,32)29(17-20-10-6-5-7-11-20)18-26(30)28-19(2)22-12-8-9-13-24(22)33-3/h5-16,19H,4,17-18H2,1-3H3,(H,28,30)/t19-/m1/s1.
What are the key properties of 2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 517.05 g/mol, XLogP of 4.82, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28548964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).