4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide

C15H24N2O4S — CID 53288264

IUPAC4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
SMILESCOc1cccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O4S/c1-12(2)16-15(18)9-6-10-17(22(4,19)20)13-7-5-8-14(11-13)21-3/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,16,18)
InChIKeyAYJHOXFPLFZBBY-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.77
Rot. Bonds8

About 4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide

4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide (PubChem CID 53288264) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
PubChem CID53288264
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
SMILESCOc1cccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O4S/c1-12(2)16-15(18)9-6-10-17(22(4,19)20)13-7-5-8-14(11-13)21-3/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,16,18)
InChIKeyAYJHOXFPLFZBBY-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[(2R)-1-phenoxypropan-2-yl]butanamide
CID 125057323
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
N-[(4-fluorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 53288234
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 133160548
N-[(4-chlorophenyl)methyl]-4-(3-methoxy-N-methylsulfonylanilino)-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132683746
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53281030
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
4-(3-chloro-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
CID 133163003
methyl 3-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
CID 113145586
4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
CID 133250137

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide (CID 53288264) is 4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide is COc1cccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
The InChIKey is AYJHOXFPLFZBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12(2)16-15(18)9-6-10-17(22(4,19)20)13-7-5-8-14(11-13)21-3/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,16,18).
What are the key properties of 4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide?
4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide has a molecular weight of 328.43 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-N-methylsulfonylanilino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 53288264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).