4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide

C24H34N2O4S — CID 133202217

IUPAC4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide
SMILESCOc1ccc(N(CCCC(=O)NC(C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H34N2O4S/c1-19(18-24(2,3)20-10-7-6-8-11-20)25-23(27)12-9-17-26(31(5,28)29)21-13-15-22(30-4)16-14-21/h6-8,10-11,13-16,19H,9,12,17-18H2,1-5H3,(H,25,27)
InChIKeyILWJJJDYEYBTOU-UHFFFAOYSA-N
MW446.61 g/mol
LogP4.11
Rot. Bonds11

About 4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide

4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide (PubChem CID 133202217) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is 4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide
PubChem CID133202217
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC Name4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide
SMILESCOc1ccc(N(CCCC(=O)NC(C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C24H34N2O4S/c1-19(18-24(2,3)20-10-7-6-8-11-20)25-23(27)12-9-17-26(31(5,28)29)21-13-15-22(30-4)16-14-21/h6-8,10-11,13-16,19H,9,12,17-18H2,1-5H3,(H,25,27)
InChIKeyILWJJJDYEYBTOU-UHFFFAOYSA-N
XLogP4.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-4-methyl-4-phenylpentan-2-yl]butanamide
CID 100524193
4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
CID 133250137
N-(2,4-dimethylpentan-3-yl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286587
4-(4-methoxy-N-methylsulfonylanilino)-N-[1-(2-methylphenyl)ethyl]butanamide
CID 133230757
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 43895699
4-(4-methoxy-N-methylsulfonylanilino)butanoic acid
CID 50891341
4-(4-methoxy-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165753
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-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
CID 133262283
N-[1-(4-ethylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133199763
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 133219537

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide?
The IUPAC name of 4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide (CID 133202217) is 4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide.
What is the SMILES notation for 4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide?
The canonical SMILES for 4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide is COc1ccc(N(CCCC(=O)NC(C)CC(C)(C)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide?
The InChIKey is ILWJJJDYEYBTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-19(18-24(2,3)20-10-7-6-8-11-20)25-23(27)12-9-17-26(31(5,28)29)21-13-15-22(30-4)16-14-21/h6-8,10-11,13-16,19H,9,12,17-18H2,1-5H3,(H,25,27).
What are the key properties of 4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide?
4-(4-methoxy-N-methylsulfonylanilino)-N-(4-methyl-4-phenylpentan-2-yl)butanamide has a molecular weight of 446.61 g/mol, XLogP of 4.11, 11 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-(4-methyl-4-phenylpentan-2-yl)butanamide is sourced from PubChem (CID 133202217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).