2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

C23H31N3O6S2 — CID 30219303

IUPAC2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C23H31N3O6S2/c1-4-18-10-6-7-11-21(18)26(33(3,28)29)17-23(27)24-20-16-19(12-13-22(20)32-2)34(30,31)25-14-8-5-9-15-25/h6-7,10-13,16H,4-5,8-9,14-15,17H2,1-3H3,(H,24,27)
InChIKeyDAJNYYXNDCJSSU-UHFFFAOYSA-N
MW509.65 g/mol
LogP2.84
Rot. Bonds9

About 2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 30219303) has the molecular formula C23H31N3O6S2 and a molecular weight of 509.65 g/mol. Its IUPAC name is 2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID30219303
Molecular FormulaC23H31N3O6S2
Molecular Weight509.65 g/mol
Exact Mass509.17
IUPAC Name2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C23H31N3O6S2/c1-4-18-10-6-7-11-21(18)26(33(3,28)29)17-23(27)24-20-16-19(12-13-22(20)32-2)34(30,31)25-14-8-5-9-15-25/h6-7,10-13,16H,4-5,8-9,14-15,17H2,1-3H3,(H,24,27)
InChIKeyDAJNYYXNDCJSSU-UHFFFAOYSA-N
XLogP2.84
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.65
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46772784
2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30219518
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 99954310
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30224711
2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46772719
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1163326
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43896334
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 100709949
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43900649
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43905601
2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43900657

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 30219303) is 2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is CCc1ccccc1N(CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is DAJNYYXNDCJSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6S2/c1-4-18-10-6-7-11-21(18)26(33(3,28)29)17-23(27)24-20-16-19(12-13-22(20)32-2)34(30,31)25-14-8-5-9-15-25/h6-7,10-13,16H,4-5,8-9,14-15,17H2,1-3H3,(H,24,27).
What are the key properties of 2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 509.65 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 30219303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).