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

C27H32N2O5S2 — CID 53280090

IUPAC2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C27H32N2O5S2/c1-5-33-26-9-7-6-8-25(26)29(36(31,32)24-16-14-23(35-4)15-17-24)19-27(30)28-18-21-10-12-22(13-11-21)34-20(2)3/h6-17,20H,5,18-19H2,1-4H3,(H,28,30)
InChIKeyKAPMPESHMHLSDX-UHFFFAOYSA-N
MW528.70 g/mol
LogP5.11
Rot. Bonds12

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

2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 53280090) has the molecular formula C27H32N2O5S2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID53280090
Molecular FormulaC27H32N2O5S2
Molecular Weight528.70 g/mol
Exact Mass528.18
IUPAC Name2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C27H32N2O5S2/c1-5-33-26-9-7-6-8-25(26)29(36(31,32)24-16-14-23(35-4)15-17-24)19-27(30)28-18-21-10-12-22(13-11-21)34-20(2)3/h6-17,20H,5,18-19H2,1-4H3,(H,28,30)
InChIKeyKAPMPESHMHLSDX-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

N-[[4-(diethylamino)phenyl]methyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 100695196
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2969185
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 46769210
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280258
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 43898908
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30202878
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30214829
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 53280241
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 100594636
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30227763
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2232163
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 53280295

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 53280090) is 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CCOc1ccccc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is KAPMPESHMHLSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5S2/c1-5-33-26-9-7-6-8-25(26)29(36(31,32)24-16-14-23(35-4)15-17-24)19-27(30)28-18-21-10-12-22(13-11-21)34-20(2)3/h6-17,20H,5,18-19H2,1-4H3,(H,28,30).
What are the key properties of 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-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-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 53280090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).