2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide

C24H32N2O5S — CID 43904320

IUPAC2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C24H32N2O5S/c1-5-21(31-20-11-9-17(2)18(3)15-20)24(27)25-19-10-12-22(30-4)23(16-19)32(28,29)26-13-7-6-8-14-26/h9-12,15-16,21H,5-8,13-14H2,1-4H3,(H,25,27)
InChIKeyNESWTCCONQCLQT-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.28
Rot. Bonds8

About 2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide

2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 43904320) has the molecular formula C24H32N2O5S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID43904320
Molecular FormulaC24H32N2O5S
Molecular Weight460.60 g/mol
Exact Mass460.20
IUPAC Name2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C24H32N2O5S/c1-5-21(31-20-11-9-17(2)18(3)15-20)24(27)25-19-10-12-22(30-4)23(16-19)32(28,29)26-13-7-6-8-14-26/h9-12,15-16,21H,5-8,13-14H2,1-4H3,(H,25,27)
InChIKeyNESWTCCONQCLQT-UHFFFAOYSA-N
XLogP4.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 92685233
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 28635710
(2R)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenoxy)propanamide
CID 97070489
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
(2R)-2-(4-methoxyphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 26075409
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 46569060
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
CID 26521362
2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119677471
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide (CID 43904320) is 2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is NESWTCCONQCLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S/c1-5-21(31-20-11-9-17(2)18(3)15-20)24(27)25-19-10-12-22(30-4)23(16-19)32(28,29)26-13-7-6-8-14-26/h9-12,15-16,21H,5-8,13-14H2,1-4H3,(H,25,27).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide?
2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 460.60 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 43904320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).