N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide

C24H32N2O4S — CID 4563338

IUPACN-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
SMILESCC(C)CNC(=O)COc1ccc(Sc2ccc(OCC(=O)NCC(C)C)cc2)cc1
InChIInChI=1S/C24H32N2O4S/c1-17(2)13-25-23(27)15-29-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)30-16-24(28)26-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyHFNUQPLVHZCUEU-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.14
Rot. Bonds12

About N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide

N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide (PubChem CID 4563338) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
PubChem CID4563338
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide
SMILESCC(C)CNC(=O)COc1ccc(Sc2ccc(OCC(=O)NCC(C)C)cc2)cc1
InChIInChI=1S/C24H32N2O4S/c1-17(2)13-25-23(27)15-29-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)30-16-24(28)26-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyHFNUQPLVHZCUEU-UHFFFAOYSA-N
XLogP4.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide (CID 4563338) is N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide is CC(C)CNC(=O)COc1ccc(Sc2ccc(OCC(=O)NCC(C)C)cc2)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide?
The InChIKey is HFNUQPLVHZCUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-17(2)13-25-23(27)15-29-19-5-9-21(10-6-19)31-22-11-7-20(8-12-22)30-16-24(28)26-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide?
N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide has a molecular weight of 444.60 g/mol, XLogP of 4.14, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-[4-[2-(2-methylpropylamino)-2-oxoethoxy]phenyl]sulfanylphenoxy]acetamide is sourced from PubChem (CID 4563338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).