N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide

C22H30N2O3S — CID 133199519

IUPACN-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide
SMILESCCc1ccc(C(C)NC(=O)C(CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O3S/c1-6-18-11-13-19(14-12-18)17(4)23-22(25)21(7-2)24(28(5,26)27)20-10-8-9-16(3)15-20/h8-15,17,21H,6-7H2,1-5H3,(H,23,25)
InChIKeyWOMWYARBAPVQRF-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.98
Rot. Bonds8

About N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide

N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 133199519) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide
PubChem CID133199519
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide
SMILESCCc1ccc(C(C)NC(=O)C(CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H30N2O3S/c1-6-18-11-13-19(14-12-18)17(4)23-22(25)21(7-2)24(28(5,26)27)20-10-8-9-16(3)15-20/h8-15,17,21H,6-7H2,1-5H3,(H,23,25)
InChIKeyWOMWYARBAPVQRF-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]butanamide
CID 133228988
(2S)-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide
CID 125084855
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132658818
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]butanamide
CID 125057989
(2S)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 125052137
N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132673254
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 125078900
N-[1-(3,4-dimethylphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide
CID 132665204
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 93486268
N-[1-(4-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 132663188
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165715
N-[1-(4-tert-butylphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 132669090

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide (CID 133199519) is N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide is CCc1ccc(C(C)NC(=O)C(CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is WOMWYARBAPVQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-6-18-11-13-19(14-12-18)17(4)23-22(25)21(7-2)24(28(5,26)27)20-10-8-9-16(3)15-20/h8-15,17,21H,6-7H2,1-5H3,(H,23,25).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide?
N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 402.56 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 133199519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).