N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide

C24H34N2O3S — CID 132669090

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NC(C)c1ccc(C(C)(C)C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C24H34N2O3S/c1-8-22(26(30(7,28)29)21-15-9-17(2)10-16-21)23(27)25-18(3)19-11-13-20(14-12-19)24(4,5)6/h9-16,18,22H,8H2,1-7H3,(H,25,27)
InChIKeyAQOWNIJUACZXMC-UHFFFAOYSA-N
MW430.61 g/mol
LogP4.71
Rot. Bonds7

About N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide

N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 132669090) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
PubChem CID132669090
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NC(C)c1ccc(C(C)(C)C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C24H34N2O3S/c1-8-22(26(30(7,28)29)21-15-9-17(2)10-16-21)23(27)25-18(3)19-11-13-20(14-12-19)24(4,5)6/h9-16,18,22H,8H2,1-7H3,(H,25,27)
InChIKeyAQOWNIJUACZXMC-UHFFFAOYSA-N
XLogP4.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132673254
(2R)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 94027434
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 93160057
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 99131220
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229475
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]butanamide
CID 46741650
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132658818
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 93486268
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]butanamide
CID 92677182
N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide
CID 133199519
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93172697
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93172695

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide (CID 132669090) is N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide is CCC(C(=O)NC(C)c1ccc(C(C)(C)C)cc1)N(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is AQOWNIJUACZXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-8-22(26(30(7,28)29)21-15-9-17(2)10-16-21)23(27)25-18(3)19-11-13-20(14-12-19)24(4,5)6/h9-16,18,22H,8H2,1-7H3,(H,25,27).
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide?
N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 430.61 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132669090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).