2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

C27H32N2O5S2 — CID 30227763

IUPAC2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C27H32N2O5S2/c1-5-33-23-11-9-22(10-12-23)29(36(31,32)26-15-13-25(35-4)14-16-26)19-27(30)28-18-21-7-6-8-24(17-21)34-20(2)3/h6-17,20H,5,18-19H2,1-4H3,(H,28,30)
InChIKeyFGRCPQLMTMJPIJ-UHFFFAOYSA-N
MW528.70 g/mol
LogP5.11
Rot. Bonds12

About 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 30227763) has the molecular formula C27H32N2O5S2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID30227763
Molecular FormulaC27H32N2O5S2
Molecular Weight528.70 g/mol
Exact Mass528.18
IUPAC Name2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCCOc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C27H32N2O5S2/c1-5-33-23-11-9-22(10-12-23)29(36(31,32)26-15-13-25(35-4)14-16-26)19-27(30)28-18-21-7-6-8-24(17-21)34-20(2)3/h6-17,20H,5,18-19H2,1-4H3,(H,28,30)
InChIKeyFGRCPQLMTMJPIJ-UHFFFAOYSA-N
XLogP5.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30306762
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30304403
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30228554
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 53280090
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 43894148
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 1202350
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280258
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 6620763
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 99950546
N-butan-2-yl-2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43891749
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30212679
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30202878

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (CID 30227763) is 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is CCOc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(=O)(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is FGRCPQLMTMJPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5S2/c1-5-33-23-11-9-22(10-12-23)29(36(31,32)26-15-13-25(35-4)14-16-26)19-27(30)28-18-21-7-6-8-24(17-21)34-20(2)3/h6-17,20H,5,18-19H2,1-4H3,(H,28,30).
What are the key properties of 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 528.70 g/mol, XLogP of 5.11, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 30227763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).