4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

C25H30N4O9S — CID 3835575

IUPAC4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
SMILESCC1(C)OC2OC(C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)C3OC(C)(C)OC3C2O1
InChIInChI=1S/C25H30N4O9S/c1-24(2)35-18-19(36-24)21-23(38-25(3,4)37-21)34-20(18)22(31)27-13-17(30)28-14-8-10-15(11-9-14)39(32,33)29-16-7-5-6-12-26-16/h5-12,18-21,23H,13H2,1-4H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyNEZKPXFSPBYPFW-UHFFFAOYSA-N
MW562.60 g/mol
LogP1.33
Rot. Bonds7

About 4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide (PubChem CID 3835575) has the molecular formula C25H30N4O9S and a molecular weight of 562.60 g/mol. Its IUPAC name is 4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.

Molecular Properties

Compound Name4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
PubChem CID3835575
Molecular FormulaC25H30N4O9S
Molecular Weight562.60 g/mol
Exact Mass562.17
IUPAC Name4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
SMILESCC1(C)OC2OC(C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)C3OC(C)(C)OC3C2O1
InChIInChI=1S/C25H30N4O9S/c1-24(2)35-18-19(36-24)21-23(38-25(3,4)37-21)34-20(18)22(31)27-13-17(30)28-14-8-10-15(11-9-14)39(32,33)29-16-7-5-6-12-26-16/h5-12,18-21,23H,13H2,1-4H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyNEZKPXFSPBYPFW-UHFFFAOYSA-N
XLogP1.33
TPSA163.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.60
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide with MolForge

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Related Compounds

4,4,11,11-tetramethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 22696387
N-[2-[[2-(4-acetylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 3543299
4,4,11,11-tetramethyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 3839876
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CID 19204194
N-[4-(pyridin-2-ylsulfamoyl)phenyl]pentanamide
CID 19176522
(1S,2R,6S,8S,9R)-N-benzyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 124766563
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
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2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
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2-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl)amino]acetic acid
CID 3146275
2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The IUPAC name of 4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide (CID 3835575) is 4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
What is the SMILES notation for 4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The canonical SMILES for 4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide is CC1(C)OC2OC(C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)C3OC(C)(C)OC3C2O1.
What is the InChIKey of 4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
The InChIKey is NEZKPXFSPBYPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O9S/c1-24(2)35-18-19(36-24)21-23(38-25(3,4)37-21)34-20(18)22(31)27-13-17(30)28-14-8-10-15(11-9-14)39(32,33)29-16-7-5-6-12-26-16/h5-12,18-21,23H,13H2,1-4H3,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of 4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide?
4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide has a molecular weight of 562.60 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,11,11-tetramethyl-N-[2-oxo-2-[4-(pyridin-2-ylsulfamoyl)anilino]ethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide is sourced from PubChem (CID 3835575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).