2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

C27H33N3O7S2 — CID 100797192

IUPAC2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C27H33N3O7S2/c1-5-37-23-11-9-22(10-12-23)30(39(34,35)26-18-21(3)8-15-25(26)36-4)19-27(31)28-16-17-29-38(32,33)24-13-6-20(2)7-14-24/h6-15,18,29H,5,16-17,19H2,1-4H3,(H,28,31)
InChIKeyGTRDEESXJHXESN-UHFFFAOYSA-N
MW575.71 g/mol
LogP3.00
Rot. Bonds13

About 2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 100797192) has the molecular formula C27H33N3O7S2 and a molecular weight of 575.71 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID100797192
Molecular FormulaC27H33N3O7S2
Molecular Weight575.71 g/mol
Exact Mass575.18
IUPAC Name2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C27H33N3O7S2/c1-5-37-23-11-9-22(10-12-23)30(39(34,35)26-18-21(3)8-15-25(26)36-4)19-27(31)28-16-17-29-38(32,33)24-13-6-20(2)7-14-24/h6-15,18,29H,5,16-17,19H2,1-4H3,(H,28,31)
InChIKeyGTRDEESXJHXESN-UHFFFAOYSA-N
XLogP3.00
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.71
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100797142
2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874677
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 43872582
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100795494
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3737355
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28548160
N-(2-ethoxyphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126394171
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[3-[(4-methylphenyl)methylsulfanyl]propyl]acetamide
CID 43897443
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30215078
2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132756576
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of 2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (CID 100797192) is 2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is CCOc1ccc(N(CC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2cc(C)ccc2OC)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is GTRDEESXJHXESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O7S2/c1-5-37-23-11-9-22(10-12-23)30(39(34,35)26-18-21(3)8-15-25(26)36-4)19-27(31)28-16-17-29-38(32,33)24-13-6-20(2)7-14-24/h6-15,18,29H,5,16-17,19H2,1-4H3,(H,28,31).
What are the key properties of 2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 575.71 g/mol, XLogP of 3.00, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 100797192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).