4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide

C27H34N4O5S — CID 87654446

IUPAC4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCc3[nH]cnc3C2c2ccccc2)c(C)c1C
InChIInChI=1S/C27H34N4O5S/c1-18-15-23(35-5)19(2)20(3)27(18)37(33,34)30(4)13-14-36-16-24(32)31-12-11-22-25(29-17-28-22)26(31)21-9-7-6-8-10-21/h6-10,15,17,26H,11-14,16H2,1-5H3,(H,28,29)
InChIKeyGAYUBVYNJYJXSD-UHFFFAOYSA-N
MW526.66 g/mol
LogP3.15
Rot. Bonds9

About 4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide

4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide (PubChem CID 87654446) has the molecular formula C27H34N4O5S and a molecular weight of 526.66 g/mol. Its IUPAC name is 4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide
PubChem CID87654446
Molecular FormulaC27H34N4O5S
Molecular Weight526.66 g/mol
Exact Mass526.22
IUPAC Name4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCc3[nH]cnc3C2c2ccccc2)c(C)c1C
InChIInChI=1S/C27H34N4O5S/c1-18-15-23(35-5)19(2)20(3)27(18)37(33,34)30(4)13-14-36-16-24(32)31-12-11-22-25(29-17-28-22)26(31)21-9-7-6-8-10-21/h6-10,15,17,26H,11-14,16H2,1-5H3,(H,28,29)
InChIKeyGAYUBVYNJYJXSD-UHFFFAOYSA-N
XLogP3.15
TPSA104.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.66
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide (CID 87654446) is 4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCc3[nH]cnc3C2c2ccccc2)c(C)c1C.
What is the InChIKey of 4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide?
The InChIKey is GAYUBVYNJYJXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5S/c1-18-15-23(35-5)19(2)20(3)27(18)37(33,34)30(4)13-14-36-16-24(32)31-12-11-22-25(29-17-28-22)26(31)21-9-7-6-8-10-21/h6-10,15,17,26H,11-14,16H2,1-5H3,(H,28,29).
What are the key properties of 4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide?
4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide has a molecular weight of 526.66 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,3,6-tetramethyl-N-[2-[2-oxo-2-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 87654446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).