2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

C26H30N2O6S — CID 28548002

IUPAC2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)N[C@H](C)c2ccccc2OC)S(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C26H30N2O6S/c1-18-10-15-24(34-5)25(16-18)35(30,31)28(20-11-13-21(32-3)14-12-20)17-26(29)27-19(2)22-8-6-7-9-23(22)33-4/h6-16,19H,17H2,1-5H3,(H,27,29)/t19-/m1/s1
InChIKeyNNDMEYGOVKMHFZ-LJQANCHMSA-N
MW498.60 g/mol
LogP4.09
Rot. Bonds10

About 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 28548002) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID28548002
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC Name2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)N[C@H](C)c2ccccc2OC)S(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C26H30N2O6S/c1-18-10-15-24(34-5)25(16-18)35(30,31)28(20-11-13-21(32-3)14-12-20)17-26(29)27-19(2)22-8-6-7-9-23(22)33-4/h6-16,19H,17H2,1-5H3,(H,27,29)/t19-/m1/s1
InChIKeyNNDMEYGOVKMHFZ-LJQANCHMSA-N
XLogP4.09
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401519
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 24607004
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 126395506
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94861508
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 43872582
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125048875
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28548160
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547217
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133160554
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906271

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (CID 28548002) is 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccc(N(CC(=O)N[C@H](C)c2ccccc2OC)S(=O)(=O)c2cc(C)ccc2OC)cc1.
What is the InChIKey of 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is NNDMEYGOVKMHFZ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-18-10-15-24(34-5)25(16-18)35(30,31)28(20-11-13-21(32-3)14-12-20)17-26(29)27-19(2)22-8-6-7-9-23(22)33-4/h6-16,19H,17H2,1-5H3,(H,27,29)/t19-/m1/s1.
What are the key properties of 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 498.60 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28548002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).