2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

C28H31N3O6S2 — CID 2968964

IUPAC2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C28H31N3O6S2/c1-3-37-26-11-7-6-10-25(26)31(39(34,35)22-14-12-21(38-2)13-15-22)20-27(32)29-24-9-5-4-8-23(24)28(33)30-16-18-36-19-17-30/h4-15H,3,16-20H2,1-2H3,(H,29,32)
InChIKeyLHPMGEZFCMGIHD-UHFFFAOYSA-N
MW569.71 g/mol
LogP4.11
Rot. Bonds10

About 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 2968964) has the molecular formula C28H31N3O6S2 and a molecular weight of 569.71 g/mol. Its IUPAC name is 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID2968964
Molecular FormulaC28H31N3O6S2
Molecular Weight569.71 g/mol
Exact Mass569.17
IUPAC Name2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C28H31N3O6S2/c1-3-37-26-11-7-6-10-25(26)31(39(34,35)22-14-12-21(38-2)13-15-22)20-27(32)29-24-9-5-4-8-23(24)28(33)30-16-18-36-19-17-30/h4-15H,3,16-20H2,1-2H3,(H,29,32)
InChIKeyLHPMGEZFCMGIHD-UHFFFAOYSA-N
XLogP4.11
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.71
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126031095
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519780
2-[[2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 126410543
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17312988
2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]amino]benzamide
CID 126029637
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17201133
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2232080
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 53280106
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126413944
N-(2-ethoxyphenyl)-4-methylsulfanyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 2974007
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 1349588
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 46769210

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (CID 2968964) is 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is LHPMGEZFCMGIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O6S2/c1-3-37-26-11-7-6-10-25(26)31(39(34,35)22-14-12-21(38-2)13-15-22)20-27(32)29-24-9-5-4-8-23(24)28(33)30-16-18-36-19-17-30/h4-15H,3,16-20H2,1-2H3,(H,29,32).
What are the key properties of 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 569.71 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 2968964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).