4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide

C21H28N2O5S — CID 125057323

IUPAC4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide
SMILESCOc1cccc(N(CCCC(=O)N[C@H](C)COc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C21H28N2O5S/c1-17(16-28-19-10-5-4-6-11-19)22-21(24)13-8-14-23(29(3,25)26)18-9-7-12-20(15-18)27-2/h4-7,9-12,15,17H,8,13-14,16H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyGEJPMQRRZCOZLJ-QGZVFWFLSA-N
MW420.53 g/mol
LogP2.83
Rot. Bonds11

About 4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide

4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide (PubChem CID 125057323) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide.

Molecular Properties

Compound Name4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide
PubChem CID125057323
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide
SMILESCOc1cccc(N(CCCC(=O)N[C@H](C)COc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C21H28N2O5S/c1-17(16-28-19-10-5-4-6-11-19)22-21(24)13-8-14-23(29(3,25)26)18-9-7-12-20(15-18)27-2/h4-7,9-12,15,17H,8,13-14,16H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyGEJPMQRRZCOZLJ-QGZVFWFLSA-N
XLogP2.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide
CID 133184345
4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288264
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 133219537
4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide
CID 133202332
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenoxy)propan-2-yl]butanamide
CID 133235236
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125042890
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 125087258
N-(2,6-difluorophenyl)-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 100745930
2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670775
4-(4-chloro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 132671755
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
N-[(4-fluorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 53288234

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide?
The IUPAC name of 4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide (CID 125057323) is 4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide.
What is the SMILES notation for 4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide?
The canonical SMILES for 4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide is COc1cccc(N(CCCC(=O)N[C@H](C)COc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide?
The InChIKey is GEJPMQRRZCOZLJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-17(16-28-19-10-5-4-6-11-19)22-21(24)13-8-14-23(29(3,25)26)18-9-7-12-20(15-18)27-2/h4-7,9-12,15,17H,8,13-14,16H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide?
4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide has a molecular weight of 420.53 g/mol, XLogP of 2.83, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide is sourced from PubChem (CID 125057323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).