4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide

C17H28N2O4S — CID 133250137

IUPAC4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
SMILESCOc1ccc(N(CCCC(=O)NC(C)C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O4S/c1-13(2)14(3)18-17(20)7-6-12-19(24(5,21)22)15-8-10-16(23-4)11-9-15/h8-11,13-14H,6-7,12H2,1-5H3,(H,18,20)
InChIKeyDTFAFQPJDYQWPD-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.40
Rot. Bonds9

About 4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide

4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide (PubChem CID 133250137) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
PubChem CID133250137
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
SMILESCOc1ccc(N(CCCC(=O)NC(C)C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O4S/c1-13(2)14(3)18-17(20)7-6-12-19(24(5,21)22)15-8-10-16(23-4)11-9-15/h8-11,13-14H,6-7,12H2,1-5H3,(H,18,20)
InChIKeyDTFAFQPJDYQWPD-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylpentan-3-yl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286587
4-(4-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165753
4-(4-methoxy-N-methylsulfonylanilino)-N-[1-(2-methylphenyl)ethyl]butanamide
CID 133230757
N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133199763
4-(4-methoxy-N-methylsulfonylanilino)butanoic acid
CID 50891341
4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide
CID 133202217
N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 53286903
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 94019283
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 124561484
4-(4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 133190913
N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 125087150
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132669688

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide?
The IUPAC name of 4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide (CID 133250137) is 4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide.
What is the SMILES notation for 4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide?
The canonical SMILES for 4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide is COc1ccc(N(CCCC(=O)NC(C)C(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide?
The InChIKey is DTFAFQPJDYQWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-13(2)14(3)18-17(20)7-6-12-19(24(5,21)22)15-8-10-16(23-4)11-9-15/h8-11,13-14H,6-7,12H2,1-5H3,(H,18,20).
What are the key properties of 4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide?
4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide has a molecular weight of 356.49 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide is sourced from PubChem (CID 133250137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).