N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide

C20H34N2O4S — CID 53286903

IUPACN-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccc(N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H34N2O4S/c1-7-26-18-12-10-17(11-13-18)22(27(6,24)25)14-8-9-19(23)21-20(15(2)3)16(4)5/h10-13,15-16,20H,7-9,14H2,1-6H3,(H,21,23)
InChIKeyKSBDBQCYMZEEHA-UHFFFAOYSA-N
MW398.57 g/mol
LogP3.43
Rot. Bonds11

About N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide

N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide (PubChem CID 53286903) has the molecular formula C20H34N2O4S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
PubChem CID53286903
Molecular FormulaC20H34N2O4S
Molecular Weight398.57 g/mol
Exact Mass398.22
IUPAC NameN-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccc(N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H34N2O4S/c1-7-26-18-12-10-17(11-13-18)22(27(6,24)25)14-8-9-19(23)21-20(15(2)3)16(4)5/h10-13,15-16,20H,7-9,14H2,1-6H3,(H,21,23)
InChIKeyKSBDBQCYMZEEHA-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 53.43
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-ethoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53286904
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125042890
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]butanamide
CID 125080189
N-[1-(2,5-dimethylphenyl)ethyl]-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 53287004
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 99132446
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 124561484
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
CID 133250137
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
4-(4-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 133217446

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide (CID 53286903) is N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide is CCOc1ccc(N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is KSBDBQCYMZEEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4S/c1-7-26-18-12-10-17(11-13-18)22(27(6,24)25)14-8-9-19(23)21-20(15(2)3)16(4)5/h10-13,15-16,20H,7-9,14H2,1-6H3,(H,21,23).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide?
N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 398.57 g/mol, XLogP of 3.43, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-4-(4-ethoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53286903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).