2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide

C24H31N3O5S — CID 24687416

IUPAC2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C
InChIInChI=1S/C24H31N3O5S/c1-18-6-5-7-23(19(18)2)32-17-24(28)25-21-16-20(8-9-22(21)26-10-3-4-11-26)33(29,30)27-12-14-31-15-13-27/h5-9,16H,3-4,10-15,17H2,1-2H3,(H,25,28)
InChIKeyKAYUCWFXEPOHPM-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.94
Rot. Bonds7

About 2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide

2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 24687416) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID24687416
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C
InChIInChI=1S/C24H31N3O5S/c1-18-6-5-7-23(19(18)2)32-17-24(28)25-21-16-20(8-9-22(21)26-10-3-4-11-26)33(29,30)27-12-14-31-15-13-27/h5-9,16H,3-4,10-15,17H2,1-2H3,(H,25,28)
InChIKeyKAYUCWFXEPOHPM-UHFFFAOYSA-N
XLogP2.94
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 16546072
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenoxyacetamide
CID 16552445
ethyl 4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)-4-oxobutanoate
CID 4005240
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
2-(4-fluorophenoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16552442
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 5216601
3-methoxy-4-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55411892
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 3918520
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 4666759
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 4968881

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide (CID 24687416) is 2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide is Cc1cccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is KAYUCWFXEPOHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-18-6-5-7-23(19(18)2)32-17-24(28)25-21-16-20(8-9-22(21)26-10-3-4-11-26)33(29,30)27-12-14-31-15-13-27/h5-9,16H,3-4,10-15,17H2,1-2H3,(H,25,28).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide?
2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 473.60 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 24687416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).