2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

C21H26N2O5S — CID 4928494

IUPAC2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-3-20(28-18-6-4-5-16(2)15-18)21(24)22-17-7-9-19(10-8-17)29(25,26)23-11-13-27-14-12-23/h4-10,15,20H,3,11-14H2,1-2H3,(H,22,24)
InChIKeyRLPJFGRXTSHRFR-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.81
Rot. Bonds7

About 2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 4928494) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID4928494
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCCC(Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-3-20(28-18-6-4-5-16(2)15-18)21(24)22-17-7-9-19(10-8-17)29(25,26)23-11-13-27-14-12-23/h4-10,15,20H,3,11-14H2,1-2H3,(H,22,24)
InChIKeyRLPJFGRXTSHRFR-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 4928488
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 94016517
2-(2-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 43876383
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
CID 26521362
(2S)-N-(3-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)propanamide
CID 7612920
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
2-(3,5-dimethylphenoxy)-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butanamide
CID 133234913
(2S)-2-(3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 7760214
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(4-methylphenoxy)butanamide
CID 4950124
(2S)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 28632879
2-(3-methylphenoxy)-N-[4-[4-[2-(3-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 4929418
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide (CID 4928494) is 2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide is CCC(Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is RLPJFGRXTSHRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-3-20(28-18-6-4-5-16(2)15-18)21(24)22-17-7-9-19(10-8-17)29(25,26)23-11-13-27-14-12-23/h4-10,15,20H,3,11-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide?
2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 418.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 4928494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).